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Auto-converted to Parquet Duplicate
pos
listlengths
1
20
cell
listlengths
3
3
atomic_numbers
listlengths
1
20
pbc
listlengths
3
3
ids
stringlengths
4
18
space_group
stringclasses
179 values
chemical_system
stringlengths
1
19
energy_above_hull
float64
0
0.1
dft_band_gap
float64
0
9.72
dft_bulk_modulus
float64
0.54
401
dft_mag_density
float64
-0.18
0.24
hhi_score
float64
0
9.1k
ml_bulk_modulus
float64
1.09
399
[ [ -2.0249869200000004, -1.1691267433674715, -3.7626801214940007 ], [ -2.0249869200000004, 1.169126743367471, -0.42070162149400114 ], [ -2.0249869200000004, -1.1691267433674715, -6.263255378506 ], [ -2.0249869200000004, 1.169126743367471, -2.9212768785060006 ] ]
[ [ -2.0249869200000004, -3.5073802301024135, -4.959787499786515e-16 ], [ -2.0249869199999995, 3.5073802301024135, 2.4798937498932575e-16 ], [ 0, 0, -6.683957 ] ]
[ 32, 32, 32, 32 ]
[ 1, 1, 1 ]
mp-1007760
P6_3/mmc
Ge
0.008024
0
58.954219
0
1,900
59.947903
[ [ 0, 0, -5.388766123538 ], [ 0, 0, -7.859159876462 ], [ 0, 0, -12.012729123538 ], [ 0, 0, -1.235196876462 ], [ -2.0403580600000004, 1.1780012751842224, -4.561128442539999 ], [ -2.04035806, -1.1780012751842226, -8.68679755746 ], [ -2.04035806, -1.1780012751842226, -11.18509144254 ], [ -2.0403580600000004, 1.1780012751842224, -2.0628345574600018 ] ]
[ [ -2.0403580600000004, -3.534003825552668, -4.997435934587006e-16 ], [ -2.0403580599999995, 3.534003825552668, 2.498717967293503e-16 ], [ 0, 0, -13.247926 ] ]
[ 32, 32, 32, 32, 32, 32, 32, 32 ]
[ 1, 1, 1 ]
mp-1091415
P6_3/mmc
Ge
0
0
null
0
1,900
58.70816
[ [ -1.8409744431779034e-16, 3.0065394274653907, 2.19860594697668 ], [ 1.564090565, 0, 3.154987245 ], [ 0, 0, 0 ], [ 1.5640905649999999, 3.0065394274653907, -0.9563812980233202 ], [ -2.471137749088879e-16, 4.035674205508692, 4.5624314408758275 ], [ -1.2108111372669277e-16, 1.977404649422089, -0.1652195469224679 ], [ -3.4113195311735034e-16, 5.571107577382469, 2.4627641598277576 ], [ -2.7062935518230315e-17, 0.4419712775483116, 1.9344477341256012 ], [ 1.5640905649999999, 3.841396438168963, 1.056959567629918 ], [ 1.5640905649999999, 2.171682416761819, 3.340252326323442 ] ]
[ [ 3.12818113, 0, 1.9154585040038254e-16 ], [ -3.681948886355807e-16, 6.013078854930781, -1.9127625960466406 ], [ 0, 0, 6.30997449 ] ]
[ 46, 46, 46, 46, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm002297858>
Cmmm
O-Pd
0
null
null
0.000001
6,619.885814
169.217133
[ [ -1.54272170685383e-16, 2.519455745, 1.8037036597229095 ], [ 1.59495498, 0, 2.715121639446417 ], [ 1.5949549799999998, 2.519455745, 4.61526547005892 ], [ 0, 0, 5.4717490961835855 ] ]
[ [ 3.18990996, 0, 1.9532565110411307e-16 ], [ -3.08544341370766e-16, 5.03891149, 3.08544341370766e-16 ], [ 0, 0, 5.47743577 ] ]
[ 40, 40, 40, 22 ]
[ 1, 1, 1 ]
alex<agm001827697>
Pmm2
Ti-Zr
0.046593
null
null
-0.000004
2,451.131589
97.83326
[ [ 0.6374862007120222, 0.6858064046550943, 2.3605254964214657 ], [ 1.7405863152640675, -0.33957203488344995, 6.4451565714214665 ], [ 3.336210293991012, 1.3769971125113432, 4.184274995431561 ], [ 2.5330447298426964, -1.6991382061042881, 1.2102611421186713 ], [ 3.163490138270438, -1.0209062719820652, 3.544715533497414 ], [ 0.15412434501803413, -2.0462847115206095, 0.5707016801845244 ] ]
[ [ 0.2999345504037302, -4.101513758154176, 1.1106172216871106 ], [ 4.11246590780445, 0, -1.1106172216871106 ], [ -0.2999345504037302, 4.101513758154176, 7.058644928312889 ] ]
[ 60, 60, 28, 28, 51, 51 ]
[ 1, 1, 1 ]
alex<agm002295859>
I4_1md
Nd-Ni-Sb
0.038214
null
null
-0
2,923.276092
84.285477
[ [ -1.5821371450000001, -0.9134473065606563, -13.480225371423 ], [ -1.582137145, 0.9134473065606554, -11.08866667293 ], [ -1.5821371450000001, -0.9134473065606563, -3.6211043270700003 ], [ -1.582137145, 0.9134473065606554, -1.2295456285769994 ], [ -1.5821371450000001, -0.9134473065606563, -8.641534459599 ], [ -1.582137145, 0.9134473065606554, -6.068236540401 ] ]
[ [ -1.5821371450000004, -2.740341919681968, -3.8751183808727635e-16 ], [ -1.5821371449999995, 2.740341919681968, 1.9375591904363818e-16 ], [ 0, 0, -14.709771 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-1094569
P-3m1
Li-Mg
0.041372
0
null
-0.000019
1,845.049362
20.420931
[ [ 0, 0, 0 ], [ 3.3306690738754696e-16, 3.293590558510913, -7.65171737082681e-17 ], [ -1.5526134340013553e-8, 8.24586147150856, -2.689205362312335e-8 ], [ -0.781909438353831, 6.034287650888066, 1.3543068203623727 ], [ 1.5638188301292577, 6.034287650888066, -2.6892053025999793e-8 ], [ -0.781909438353831, 6.034287650888066, -1.3543068741464803 ] ]
[ [ 1.5526134789167032, 4.39145407801455, 2.6892054300000003 ], [ 1.5526134789167032, 4.39145407801455, -2.6892054299999995 ], [ -3.105226957833406, 4.39145407801455, 0 ] ]
[ 65, 12, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm002221446>
F-43m
Mg-Tb-Zn
0.065664
null
null
0
2,252.203353
58.979637
[ [ 0, 0, -3.357911905 ], [ 0, 0, 0 ], [ -2.21409725, -1.2783096432995107, -1.5696768062042996 ], [ -2.21409725, -1.2783096432995107, -5.146147003795702 ], [ -2.21409725, 1.2783096432995102, -1.5696768062042994 ], [ -2.21409725, 1.2783096432995102, -5.146147003795702 ] ]
[ [ -2.2140972500000005, -3.8349289298985307, -5.422974220426914e-16 ], [ -2.2140972499999996, 3.8349289298985307, 2.711487110213457e-16 ], [ 0, 0, -6.71582381 ] ]
[ 65, 12, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003751607>
P6/mmm
Mg-Tb-Zn
0.014298
null
null
-0.000456
2,252.203353
63.387833
[ [ -1.5910798677331191e-16, 2.598430615, 1.5910798677331191e-16 ], [ 0, 0, 2.598430615 ], [ 1.8689603949999998, 2.598430615, 2.5984306150000003 ], [ 1.868960395, 0, 1.1444081827349616e-16 ] ]
[ [ 3.73792079, 0, 2.288816365469923e-16 ], [ -3.1821597354662383e-16, 5.19686123, 3.1821597354662383e-16 ], [ 0, 0, 5.19686123 ] ]
[ 65, 65, 12, 30 ]
[ 1, 1, 1 ]
alex<agm001215015>
P4/mmm
Mg-Tb-Zn
0.056845
null
null
-0.000002
2,752.364888
50.468121
[ [ 0, 0, 5.965730836831097 ], [ 0, 0, 1.7375830531689036 ], [ 1.80984669, 1.80984669, 3.851656945 ], [ 1.80984669, 1.80984669, 2.216422955855932e-16 ] ]
[ [ 3.61969338, 0, 2.216422955855932e-16 ], [ -2.216422955855932e-16, 3.61969338, 2.216422955855932e-16 ], [ 0, 0, 7.70331389 ] ]
[ 65, 65, 12, 30 ]
[ 1, 1, 1 ]
alex<agm001139177>
P4/mmm
Mg-Tb-Zn
0.027274
null
null
0.001118
2,752.364888
42.317913
[ [ 1.1110176163502184e-15, 3.189571708972685, -9.344855533832684e-16 ], [ 9.999953138877027e-16, 9.56871512691805, -2.3153566841571566e-17 ], [ 0, 0, 0 ], [ 1.5559014179253426e-15, 6.379143417945368, -7.124409484582371e-16 ] ]
[ [ 1.5035785229968999, 4.252762278630245, 2.6042743950000005 ], [ 1.5035785229968999, 4.252762278630245, -2.6042743949999996 ], [ -3.0071570459937993, 4.252762278630245, 0 ] ]
[ 65, 65, 12, 30 ]
[ 1, 1, 1 ]
alex<agm001094219>
Fm-3m
Mg-Tb-Zn
0.057875
null
null
0.00053
2,752.364888
50.969925
[ [ 1.95997196, 1.3007215686096538, 5.197762678609654 ], [ 1.9599719599999998, 5.197762678609654, 6.493360651390346 ], [ 1.9599719599999998, 2.596319541390346, 1.300721568609654 ], [ 1.9599719599999996, 6.493360651390346, 2.596319541390347 ], [ -2.386249460753574e-16, 3.89704111, 3.8970411100000004 ], [ 0, 0, 0 ], [ -4.1587529353269217e-16, 6.791758959762778, 4.899364370237222 ], [ -1.772503474573348e-16, 2.8947178497627792, 6.791758959762779 ], [ -2.9999954469338005e-16, 4.899364370237222, 1.0023232602372214 ], [ -6.137459861802261e-17, 1.002323260237221, 2.8947178497627792 ] ]
[ [ 3.91994392, 0, 2.4002733872325645e-16 ], [ -4.772498921507148e-16, 7.79408222, 4.772498921507148e-16 ], [ 0, 0, 7.79408222 ] ]
[ 65, 65, 65, 65, 12, 12, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm002221439>
P4/mbm
Mg-Tb-Zn
0.025589
null
null
-0.000002
2,634.488704
64.781311
[ [ 4.291575473792477, 3.4901320572421937, 7.077692638022563 ], [ 1.2637851065793948, 1.469601414836485, 2.7460322948018745 ], [ 0, 0, 0 ], [ 2.472716953647809, 1.4202104050281366, 5.619312473370098 ], [ 3.0826436267240633, 3.5395230670505415, 4.204412459454339 ] ]
[ [ 4.127976225916527, 0, 1.7794634117241914 ], [ 1.4273843544553455, 4.959733472078678, 2.366516871100245 ], [ 0, 0, 5.67774465 ] ]
[ 65, 65, 12, 30, 30 ]
[ 1, 1, 1 ]
alex<agm002344158>
Immm
Mg-Tb-Zn
0.07245
null
null
0.000199
2,634.488704
56.902267
[ [ -1.244290241411714, -1.8818097560804306, -7.366155238434179 ], [ -2.258183668201879, 1.8818097560804303, -2.705288093046029 ], [ -1.7512369548067965, 0, -10.367262115740104 ], [ -0.9820130737457891, 1.1633403170857888, -5.813483276138916 ], [ -2.520460835867804, -1.1633403170857892, -4.257960055341294 ], [ -3.10045391832182, 0.6079973277729086, -7.691498907435185 ], [ -0.10449072957271532, 2.4904664597532236, -0.6185814992116785 ], [ -0.4020199912917739, -0.6079973277729088, -2.3799444240450227 ] ]
[ [ -3.502473909613593, 0, 0.5916375685197913 ], [ -0.20898145914543065, 4.980932919506447, -1.237162998423357 ], [ 0.20898145914543065, -4.980932919506447, -9.425917901576643 ] ]
[ 65, 65, 65, 12, 12, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003328641>
Immm
Mg-Tb-Zn
0.075007
null
null
0.000208
2,598.542328
58.910198
[ [ 0, 0, 3.3703801949463785 ], [ 0, 0, 6.905694586422236 ], [ 0, 0, 10.479516873577763 ], [ 0, 0, 14.014831265053623 ], [ 0, 0, 0 ], [ 1.785849515, 1.785849515, 1.520007813976177 ], [ 1.785849515, 1.785849515, 5.1234717128188905 ], [ 1.785849515, 1.785849515, 8.69260573 ], [ 1.785849515, 1.785849515, 12.261739747181112 ], [ 1.785849515, 1.785849515, 15.865203646023824 ] ]
[ [ 3.57169903, 0, 2.187034892303603e-16 ], [ -2.187034892303603e-16, 3.57169903, 2.187034892303603e-16 ], [ 0, 0, 17.38521146 ] ]
[ 65, 65, 65, 65, 12, 30, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003645304>
P4/mmm
Mg-Tb-Zn
0.058066
null
null
0.001328
2,638.37561
72.678596
[ [ 2.0023833154446912e-10, 2.1079126421273373, 4.157420744172054 ], [ 1.5198190003688938, 3.8833572535095047, 6.0989506840194 ], [ 1.4312461906710643e-10, 1.506675993550754, -0.2386547578635295 ], [ 1.5198190003117806, 3.282120604932921, 1.7028751819838175 ], [ 4.841998980174699e-10, 5.09718196068098, 3.66886646401409 ], [ 1.5198190000278191, 0.29285128637927793, 2.191429462141781 ] ]
[ [ 3.039638, 0, 1.8612414736333312e-16 ], [ -1.5198189994879812, 5.390033247060258, -1.6505325138441296 ], [ 0, 0, 7.51082844 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-1094601
C2/m
Li-Mg
0.009168
0
null
-0.000123
1,845.049362
21.328773
[ [ 1.750571685, 1.750571685, 8.702959336241939 ], [ 1.750571685, 1.750571685, 1.8253931137580601 ], [ 1.750571685, 1.750571685, 5.264176225 ], [ 0, 0, 0 ], [ 0, 0, 6.811008505099569 ], [ 0, 0, 3.717343944900432 ] ]
[ [ 3.50114337, 0, 2.1438320107132385e-16 ], [ -2.1438320107132385e-16, 3.50114337, 2.1438320107132385e-16 ], [ 0, 0, 10.52835245 ] ]
[ 65, 65, 12, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003435598>
P4/mmm
Mg-Tb-Zn
0.092642
null
null
0.000814
2,545.254463
64.194702
[ [ 2.06897188, 0, 8.258055732338391 ], [ -1.266879895183941e-16, 2.06897188, 2.9996937776616095 ], [ 2.06897188, 2.06897188, 2.533759790367882e-16 ], [ -1.266879895183941e-16, 2.06897188, 9.573179275446886 ], [ 2.06897188, 0, 4.157137903808191 ], [ 2.06897188, 0, 1.6845702345531153 ], [ -1.266879895183941e-16, 2.06897188, 7.10061160619181 ], [ 0, 0, 5.628874755 ], [ 0, 0, 0 ], [ 2.06897188, 2.06897188, 5.628874755 ] ]
[ [ 4.13794376, 0, 2.533759790367882e-16 ], [ -2.533759790367882e-16, 4.13794376, 2.533759790367882e-16 ], [ 0, 0, 11.25774951 ] ]
[ 65, 65, 12, 30, 30, 30, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003511031>
P-4m2
Mg-Tb-Zn
0.046451
null
null
0.000137
2,334.23215
65.479164
[ [ 2.2188369674447093, 1.3151232721022066, 2.3617075621194714 ], [ 2.1117141651293528e-8, 3.8395135754488887, 4.046844887882536 ], [ -9.036956473632359e-10, 3.2390401868140195, 0.5039090730321767 ], [ 0, 0, 0 ], [ 2.2188369894655464, 1.9155966607370754, 5.9046433769698305 ], [ -2.3902600649170344e-10, 0.8567208502394345, 4.540188141062298 ], [ 2.2188369888008768, 4.2979159973116605, 1.868364308939708 ] ]
[ [ 4.43767398, 0, 2.7172916176332474e-16 ], [ -2.218836991438149, 5.154636847551095, -0.7742400799979939 ], [ 0, 0, 7.18279253 ] ]
[ 65, 65, 12, 12, 12, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003307392>
C2/m
Mg-Tb-Zn
0.084648
null
null
0.000102
2,435.560908
48.765774
[ [ 0, 0, 0 ], [ 0, 0, 7.385231235237201 ], [ 0, 0, 3.973333864762799 ], [ 1.8478678899999998, 1.84786789, 9.388567940966535 ], [ 1.8478678899999998, 1.84786789, 1.9699971590334653 ], [ 1.8478678899999998, 1.84786789, 5.67928255 ] ]
[ [ 3.69573578, 0, 2.2629854967356735e-16 ], [ -2.2629854967356735e-16, 3.69573578, 2.2629854967356735e-16 ], [ 0, 0, 11.3585651 ] ]
[ 65, 65, 65, 12, 12, 30 ]
[ 1, 1, 1 ]
alex<agm003438183>
P4/mmm
Mg-Tb-Zn
0.034588
null
null
0
2,753.218489
41.404343
[ [ 1.8704035149999998, 1.870403515, 1.6916084928916018 ], [ 1.8704035149999998, 1.870403515, 5.603432449435094 ], [ 1.8704035149999998, 1.870403515, 9.48230067 ], [ 1.8704035149999998, 1.870403515, 13.361168890564908 ], [ 1.8704035149999998, 1.870403515, 17.272992847108398 ], [ 0, 0, 3.6709683990831303 ], [ 0, 0, 7.544122016326255 ], [ 0, 0, 11.420479323673746 ], [ 0, 0, 15.293632940916872 ], [ 0, 0, 0 ] ]
[ [ 3.74080703, 0, 2.2905836777587084e-16 ], [ -2.2905836777587084e-16, 3.74080703, 2.2905836777587084e-16 ], [ 0, 0, 18.96460134 ] ]
[ 65, 65, 65, 65, 65, 12, 12, 12, 12, 30 ]
[ 1, 1, 1 ]
alex<agm003645303>
P4/mmm
Mg-Tb-Zn
0.042016
null
null
0.000017
2,753.945354
46.838455
[ [ 2.1054580608758284, 0.6338962898420418, 6.06178326 ], [ 0.040493669524437136, 4.7409876508370195, 2.0205944200000006 ], [ 0.01606766249233675, 1.5290689667196968, 3.600631364467488 ], [ 2.129884067907929, 3.845814973959365, 4.481746315532513 ], [ 0.01606766249233675, 1.5290689667196968, 0.4405574755325122 ], [ 2.129884067907929, 3.845814973959365, 7.641820204467489 ], [ 2.115567596041728, 2.50094956850095, 2.0205944200000006 ], [ 0.030384134358537707, 2.8739343721781117, 6.06178326 ] ]
[ [ 4.19885333, 0, 2.571056145336853e-16 ], [ -2.0529015995997346, 5.374883940679061, 3.523056961916521e-16 ], [ 0, 0, 8.08237768 ] ]
[ 65, 65, 12, 12, 12, 12, 30, 30 ]
[ 1, 1, 1 ]
alex<agm002286644>
Cmcm
Mg-Tb-Zn
0.077572
null
null
0
2,349.382521
48.344337
[ [ 1.88185288, 3.854552292043557e-17, 4.5988242988602455 ], [ 1.8818528799999998, 2.8071664673244765, 1.6207183155698783 ], [ 1.8818528800000003, -2.807166467324478, 1.6207183155698779 ], [ -2.115691719961419e-33, -6.198545186418768e-17, 1.826571540125778 ], [ 3.7637057599999997, 5.208007782100018, 3.0068446949371124 ], [ 3.7637057600000006, -5.208007782100018, 3.00684469493711 ], [ 3.7637057599999997, 2.263288379226203, 3.920130465000001 ], [ 3.7637057600000006, -2.2632883792262035, 3.920130465 ] ]
[ [ 3.76370576, 0, 2.304605105958228e-16 ], [ -4.157593303750156e-16, 6.78986513767861, 3.9201304650000015 ], [ 4.157593303750156e-16, -6.78986513767861, 3.920130464999999 ] ]
[ 65, 65, 65, 12, 12, 12, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003332152>
P-62m
Mg-Tb-Zn
0.09392
null
null
0.002466
2,590.733297
52.182686
[ [ 1.79745582, 1.79745582, 2.172321698496534 ], [ 1.79745582, 1.79745582, 5.687475320826739 ], [ 1.79745582, 1.79745582, 9.2278233 ], [ 1.79745582, 1.79745582, 12.768171279173263 ], [ 1.79745582, 1.79745582, 16.283324901503466 ], [ 0, 0, 0 ], [ 0, 0, 3.8674508764870805 ], [ 0, 0, 7.44671406296817 ], [ 0, 0, 11.00893253703183 ], [ 0, 0, 14.588195723512921 ] ]
[ [ 3.59491164, 0, 2.201248516571781e-16 ], [ -2.201248516571781e-16, 3.59491164, 2.201248516571781e-16 ], [ 0, 0, 18.4556466 ] ]
[ 65, 65, 65, 65, 65, 12, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003645302>
P4/mmm
Mg-Tb-Zn
0.008003
null
null
0.002526
2,750.964782
66.442451
[ [ 4.27330394, 2.6770495568231216, 5.957688177734203 ], [ 2.744241046052063e-34, 2.173370634089627e-16, 3.091190564531595 ], [ 4.27330394, 3.8209845313324786, 2.2060464477342037 ], [ 2.13665197, 4.0948523248542623e-16, 5.663600809194068 ], [ 2.13665197, 1.593211910499434, 0.9198413254029668 ], [ 2.136651969999999, 4.904822177656166, 4.671483055402967 ], [ 2.1366519699999995, 2.1660113627185327, 3.7516417300000007 ], [ 0, 0, 0 ], [ 2.13665197, -2.166011362718534, 3.75164173 ] ]
[ [ 4.27330394, 0, 2.6166439959523867e-16 ], [ -3.978898323405073e-16, 6.4980340881556, 3.751641730000001 ], [ 3.978898323405073e-16, -6.4980340881556, 3.7516417299999985 ] ]
[ 65, 65, 65, 12, 12, 12, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm002161585>
P-62m
Mg-Tb-Zn
0.01995
null
null
-0.000001
2,530.163407
53.807426
[ [ -2.52597499, 1.4583723404427626, -4.6096361175 ], [ -2.52597499, -1.4583723404427629, -1.536545372500001 ], [ 0, 0, 0 ], [ 0, 0, -3.073090745 ], [ -2.52597499, -1.4583723404427629, -4.6096361175 ], [ -2.52597499, 1.4583723404427626, -1.5365453725000007 ] ]
[ [ -2.5259749900000004, -4.375117021328287, -6.186854372459535e-16 ], [ -2.5259749899999995, 4.375117021328287, 3.0934271862297675e-16 ], [ 0, 0, -6.14618149 ] ]
[ 65, 65, 12, 12, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003611308>
P6_3/mmc
Mg-Tb-Zn
0.030218
null
null
-0.000295
2,530.163407
54.500542
[ [ 0, 0, 0 ], [ 0, 0, 7.803655350059251 ], [ 0, 0, 3.5090369699407487 ], [ 1.79835943, 1.79835943, 5.65634616 ], [ 1.79835943, 1.79835943, 9.510117970561959 ], [ 1.79835943, 1.79835943, 1.8025743494380417 ] ]
[ [ 3.59671886, 0, 2.2023551196659587e-16 ], [ -2.2023551196659587e-16, 3.59671886, 2.2023551196659587e-16 ], [ 0, 0, 11.31269232 ] ]
[ 65, 65, 65, 12, 30, 30 ]
[ 1, 1, 1 ]
alex<agm002286292>
P4/mmm
Mg-Tb-Zn
0.015432
null
null
0.001772
2,751.566813
58.90984
[ [ 1.5644691900252845e-16, -2.554972080300261, 4.425341455 ], [ 3.3265192449999996, 2.5549720803002596, 4.425341455000001 ], [ 6.65303849, 2.554972080300259, 4.425341455 ], [ 3.3265192450000005, -2.554972080300261, 4.425341455 ], [ 4.9897788675, -2.1840465122446552e-16, 2.7885112922923763 ], [ 4.9897788675, -5.249994623035809, 3.0310858088538115 ], [ 4.9897788675, 5.249994623035809, 3.0310858088538133 ], [ 1.6632596225, -6.883746537021548e-16, 6.062171617707623 ], [ 1.6632596225000003, -2.4149216178649717, 1.3942556461461881 ], [ 1.6632596224999998, 2.4149216178649713, 1.3942556461461888 ], [ 0, 0, 0 ], [ 3.3265192450000005, -7.664916240900781, 4.425341454999998 ], [ 4.9897788675, -9.93025100888936e-16, 5.764654938112854 ], [ 4.9897788675, -2.6725786204436375, 1.5430139859435732 ], [ 4.9897788675, 2.6725786204436384, 1.5430139859435739 ], [ 1.6632596225, -2.8343987298176653e-16, 3.0860279718871464 ], [ 1.6632596225000003, -4.992337620457143, 2.882327469056426 ], [ 1.6632596224999998, 4.992337620457143, 2.882327469056428 ] ]
[ [ 6.65303849, 0, 4.0738111456913203e-16 ], [ -4.693407570075852e-16, 7.664916240900781, 4.425341455000002 ], [ 4.693407570075852e-16, -7.664916240900781, 4.425341454999998 ] ]
[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 12, 12, 30, 30, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003567591>
P6_3/mcm
Mg-Tb-Zn
0.077316
null
null
0.000006
2,805.794389
64.645058
[ [ -2.472404365, -1.4274433256783559, -5.461257421144104 ], [ 0, 0, 0 ], [ -2.4724043649999996, 1.4274433256783552, -3.6920329388558955 ], [ -2.472404365, -1.4274433256783559, -2.0329083519984272 ], [ -2.4724043649999996, 1.4274433256783552, -7.120382008001572 ], [ -2.4724043649999996, 1.4274433256783552, -0.7942724689425299 ], [ 0, 0, -6.00390200217538 ], [ 0, 0, -3.149388357824619 ], [ -2.472404365, -1.4274433256783559, -8.35901789105747 ] ]
[ [ -2.4724043650000005, -4.282329977035068, -6.055644183590389e-16 ], [ -2.4724043649999996, 4.282329977035068, 3.0278220917951944e-16 ], [ 0, 0, -9.15329036 ] ]
[ 65, 65, 65, 12, 12, 30, 30, 30, 30 ]
[ 1, 1, 1 ]
alex<agm003342927>
P-3m1
Mg-Tb-Zn
0.068067
null
null
0.000324
2,540.486833
54.965134
[ [ 6.681973913704773e-16, 3.201695054288781, -6.818690778676025e-17 ], [ 2.220446049250313e-16, 9.605085162866343, 5.551115123125783e-16 ], [ 0, 0, 0 ], [ 4.440892098500626e-16, 6.403390108577563, 1.5385769713827106e-16 ] ]
[ [ 1.5092935227860191, 4.268926739051708, 2.6141730650000006 ], [ 1.5092935227860191, 4.268926739051708, -2.6141730649999997 ], [ -3.018587045572038, 4.268926739051708, 0 ] ]
[ 62, 62, 31, 47 ]
[ 1, 1, 1 ]
mp-1187000
Fm-3m
Ag-Ga-Sm
0.013083
0
null
0.000005
2,541.694989
59.398724
[ [ -1.600861097224973e-16, 2.614404575, 1.600861097224973e-16 ], [ 0, 0, 2.614404575 ], [ 1.84624393, 0, 1.130498359659865e-16 ], [ 1.8462439299999998, 2.614404575, 2.6144045750000005 ] ]
[ [ 3.69248786, 0, 2.26099671931973e-16 ], [ -3.201722194449946e-16, 5.22880915, 3.201722194449946e-16 ], [ 0, 0, 5.22880915 ] ]
[ 62, 62, 31, 47 ]
[ 1, 1, 1 ]
alex<agm001205769>
P4/mmm
Ag-Ga-Sm
0.062956
null
null
0.00332
2,541.694989
60.866558
[ [ 0, 0, 5.7432500884123145 ], [ 0, 0, 1.829456581587685 ], [ 1.81245765, 1.81245765, 2.2196204596626339e-16 ], [ 1.81245765, 1.81245765, 3.786353335 ] ]
[ [ 3.6249153, 0, 2.2196204596626339e-16 ], [ -2.2196204596626339e-16, 3.6249153, 2.2196204596626339e-16 ], [ 0, 0, 7.57270667 ] ]
[ 62, 62, 31, 47 ]
[ 1, 1, 1 ]
alex<agm001133136>
P4/mmm
Ag-Ga-Sm
0.043857
null
null
0.000002
2,541.694989
58.439545
[ [ 0, 0, 0 ], [ 1.1355841603574048, -0.9945779859987689, 3.127814645 ], [ 2.659962966520298, -1.5452400120387915, 1.070882836974277 ], [ 1.353366621963585, 1.5452400120387917, 3.7276673000268934 ], [ 2.8777454281264783, 0.9945779859987692, 1.670735492001171 ] ]
[ [ 0.5290070529457365, -3.9783119439950765, 1.457079152998829 ], [ 4.0133295884838835, 0, -1.457079152998829 ], [ -0.5290070529457365, 3.9783119439950765, 4.798550137001171 ] ]
[ 62, 31, 31, 31, 47 ]
[ 1, 1, 1 ]
mp-1218984
I-4m2
Ag-Ga-Sm
0
0
null
0.000002
2,170.643256
64.828239
[ [ 2.221576, 1.539888013237013, 8.613842163878132 ], [ 2.2215759999999998, 5.097063613436812, 6.966216157675611 ], [ -3.4098965952186816e-16, 5.568783746616224, 1.7772047214222373 ], [ -1.2281205900353466e-16, 2.005673131045477, 3.4330619719736646 ], [ 2.221576, 0.5517363511769603, 1.5819091607008031 ], [ 2.2215759999999998, 4.103658468871375, 3.625748507792485 ], [ -4.0055057604126446e-16, 6.541487330390173, 8.82041033859056 ], [ -1.8340757768998078e-16, 2.9952730504448515, 6.777164742566806 ], [ 2.2215759999999998, 5.6598606750778115, 10.003794620211952 ], [ -3.0517677509740095e-16, 4.983914959151927, 4.817372275954128 ], [ -8.823808893876996e-17, 1.441037350527593, 0.3972079898341325 ], [ 2.221576, 3.26146842885281, 1.024974215426941 ], [ 2.2215759999999998, 6.791219430514366, 4.186452061497441 ], [ -2.351998491138531e-16, 3.841105031713771, 9.37301721314507 ], [ -1.7496513706549572e-17, 0.28573975318812456, 6.202992470784395 ], [ 2.221576, 2.1264890300679493, 5.6007195096484494 ] ]
[ [ 4.443152, 0, 2.720645937462581e-16 ], [ -4.3470679287807333e-16, 7.09930068295174, 0.029021072360653405 ], [ 0, 0, 10.37123865 ] ]
[ 62, 62, 62, 62, 31, 31, 31, 31, 31, 31, 31, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
mp-1219151
Pm
Ag-Ga-Sm
0
0
null
0.000027
2,177.533057
61.107101
[ [ 1.7977416583965642, -1.3590162164515738, -4.336644695 ], [ -3.0540585336425323, -4.039987298640411, -6.214937253082816 ], [ -1.797741658396565, 1.359016216451574, -4.336644695 ], [ -1.0553752505768395, -1.396077567165884, -7.823769325494007 ], [ -0.11352692660781337, 3.6498636459726317, -2.81624203253637 ], [ -3.5424964191768153, -0.8860655265707487, -5.85704735746363 ], [ 0.11352692660781304, -3.6498636459726326, -5.85704735746363 ], [ 3.542496419176814, 0.886065526570748, -2.81624203253637 ], [ -0.6700211930462228, -0.8863212934226841, -2.2889360872896494 ], [ 0.6700211930462229, 0.8863212934226847, -6.384353302710352 ], [ 1.364135955274986, 1.804514180792942, -4.013108592603359 ], [ -1.364135955274987, -1.8045141807929432, -4.6601807973966425 ] ]
[ [ -1.540766424683443, 5.436064865806295, -1.6539361007115887 ], [ 5.650200208902815, 0, -1.6539361007115887 ], [ -4.109433784219372, -5.436064865806295, -5.365417188576823 ] ]
[ 62, 62, 62, 62, 31, 31, 31, 31, 31, 31, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003412709>
Fmmm
Ag-Ga-Sm
0.020616
null
null
-0.000002
2,396.845524
67.614655
[ [ 3.7481055000000003, 0.0036681503848303002, 1.7603181024232775 ], [ 3.7481055000000003, 3.041584067023466, 1.7605963699191203 ], [ 1.2493685, 1.520792033511733, 0.88657775440558 ], [ 1.2493684999999999, 4.558707950150369, 0.8868560219014229 ], [ 3.7481055000000003, 1.5090058952520171, -0.8690650452096055 ], [ 1.2493684999999999, 3.053370205283182, -1.758493670465695 ] ]
[ [ 4.997474, 0, 3.0600702689610603e-16 ], [ -2.793649644013407e-16, 4.562376100535199, -2.627558715675301 ], [ 0, 0, 5.27473284 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-1094586
Cmcm
Li-Mg
0.010678
0
null
-0.000008
1,845.049362
22.107143
[ [ 3.866445883219118, 7.258090443222405, 6.977966682107997 ], [ 2.411362982591012, 3.3105958097020283, 2.150088197632558 ], [ 4.515032785595939, 1.122613766432541, 5.161783602084 ], [ 5.970115686224045, 5.070108399952918, 9.98966208655944 ], [ 1.4055765620542793, 1.956378013961031, 4.966506708053076 ], [ 3.4387617472032166, 4.231450743043452, 8.17557421088277 ], [ 6.975902106760778, 6.424326195693915, 7.173243576138922 ], [ 4.942716921611841, 4.149253466611493, 3.9641760733092273 ], [ 1.4098022446782836, 0, 0.5034621072645742 ], [ 4.229406734034851, 0, 1.5103863217937226 ], [ 2.084263574941453, 0.3648597404532327, 3.0660370193287103 ], [ 2.8850993616554748, 6.205059233438408, 9.72594803793274 ], [ 6.297215093873604, 8.015844469201713, 9.073713264863287 ], [ 5.496379307159582, 2.175644976216538, 2.4138022462592565 ], [ 2.0782304267952334, 2.0427964834893086, 7.534142912532319 ], [ 6.303248242019824, 6.3379077261656365, 4.605607371659678 ], [ 2.780937089729245, 4.190352104827473, 5.566413034831424 ], [ 5.600541579085812, 4.190352104827473, 6.573337249360573 ], [ 3.4836437526632564, 6.3379077261656365, 3.5986831571305293 ], [ 4.8978349161518, 2.0427964834893086, 8.541067127061467 ] ]
[ [ 5.6392089787131345, 0, 2.0138484290582968 ], [ 2.7422696901019226, 8.380704209654946, 1.2234782951336995 ], [ 0, 0, 8.90242356 ] ]
[ 62, 62, 62, 62, 31, 31, 31, 31, 31, 31, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003346224>
Ibam
Ag-Ga-Sm
0.090441
null
null
0.000004
1,986.91469
56.739216
[ [ 2.155118405061999, 4.938463332305906, 2.972889094571237 ], [ 3.917557089154262, 1.1086217431636705, 7.013161847085417 ], [ 5.906303471039437, 3.2097275171573507, 10.438284296569421 ], [ 4.143864786947173, 7.039569106299585, 6.398011544055241 ], [ 2.849435560553269, 2.204125306469248, 9.916533979199686 ], [ 7.3110271602744685, 7.779651436618374, 6.6199586664908265 ], [ 5.211986315548167, 5.944065542994009, 3.4946394119409723 ], [ 0.7503947158269678, 0.36853941284488334, 6.791214724649833 ], [ 4.509656234997906, 6.3654740032741834, 9.819185956029758 ], [ 3.55176564110353, 1.782716846189073, 3.5919874351109007 ], [ 5.461474348986751, 4.074095424731628, 7.231950223596556 ], [ 2.5999475271146846, 4.074095424731628, 6.1792231675441025 ], [ 0.6902388192314625, 1.782716846189073, 2.539260379058447 ], [ 7.371183056869973, 6.3654740032741834, 10.871913012082212 ], [ 3.306682778261667, 4.34411946203871, 8.673642970644 ], [ 6.668208451526703, 6.086396837041897, 8.367271183420485 ], [ 4.754739097839768, 3.8040713874245466, 4.737530420496659 ], [ 1.3932134245747334, 2.0617940124213594, 5.043902207720173 ], [ 1.4307634109360337, 0, 0.5263635280262269 ], [ 4.292290232808101, 0, 1.5790905840786806 ] ]
[ [ 5.723053643744135, 0, 2.1054541121049075 ], [ 2.3383682323573014, 8.148190849463257, 2.4747787790357507 ], [ 0, 0, 8.8309405 ] ]
[ 62, 62, 62, 62, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003346223>
Ibam
Ag-Ga-Sm
0.043434
null
null
0
2,104.598209
61.311386
[ [ 4.94863902567792, 4.638593459081694, 4.851353987916939 ], [ 0.5853298218971071, 3.185652830918306, 1.5771225567524043 ], [ 3.3523142456846213, 0.7264703140816939, 0.5501899440870758 ], [ 2.181654601890406, 7.097775975918306, 5.878286600582268 ], [ 1.7297714581806076, 5.8681847175, 0.41955429239846675 ], [ 1.0372129656069056, 1.9560615725, 7.035854864936205 ], [ 3.8041973893944196, 1.9560615725, 6.008922252270876 ], [ 4.496755881968122, 5.8681847175, -0.6073783202668616 ], [ 4.575578026473852, 7.665481144103705, 3.8461722705590176 ], [ 0.9583908211011749, 0.15876514589629467, 2.5823042741103257 ], [ 3.725375244888688, 3.753357999103705, 1.5553716614449975 ], [ 1.8085936026863387, 4.070888290896295, 4.873104883224346 ], [ 0, 0, 0 ], [ 2.7669844237875134, 3.912123145, -1.0269326126653282 ], [ 2.6575611470850355, 5.8681847175, 2.9194064484057662 ], [ 0.10942327670247784, 1.9560615725, 4.536002708928906 ], [ 2.876407700489992, 1.9560615725, 3.509070096263577 ], [ 5.424545570872549, 5.8681847175, 1.892473835740438 ] ]
[ [ 5.533968847575028, 0, -2.053865225330657 ], [ -4.790969087394526e-16, 7.82424629, 4.790969087394526e-16 ], [ 0, 0, 8.48234177 ] ]
[ 62, 62, 62, 62, 31, 31, 31, 31, 31, 31, 31, 31, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003335087>
Cmce
Ag-Ga-Sm
0.091863
null
null
0.000002
2,120.391986
66.825615
[ [ -1.7571836167688235, -3.667167649409656, -6.058169884394734 ], [ 2.2561893422216666, -6.633801066328165, -1.6990724019425711 ], [ 1.4008481699584645, -4.608328943671869, -4.6479969377880215 ], [ 0.25773501327139164, -1.493785910073007, -8.58906112539536 ], [ -0.8182418776926642, -2.1490245882367423, -2.821018917385295 ], [ -1.6735830499558664, -0.12355246558044645, -5.769943453230743 ], [ 2.339789909034625, -3.0901858824989543, -1.410845970778583 ], [ 0.3248712789944092, -5.263567621835604, 1.1200452702220456 ], [ -2.5356813532565616, 0, -8.742164462250894 ], [ 1.0776952606095505, -1.8917502454515378, -5.762117856167214 ], [ -0.4950889683437499, -4.865603286457073, -1.706897999006102 ] ]
[ [ 5.071362706513123, 0, -1.47095835549821 ], [ 0.5826062922658012, -6.7573535319086115, 2.0086277848266842 ], [ -5.071362706513123, 0, -8.00668528450179 ] ]
[ 62, 62, 62, 62, 62, 62, 62, 62, 31, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003529952>
C2/m
Ag-Ga-Sm
0.08804
null
null
0
2,797.367764
48.419792
[ [ -2.329513735, 1.3449453819831807, -3.570664385 ], [ -2.329513735, 1.3449453819831807, -7.482686592671771e-32 ], [ 0, 0, -5.58661057909687 ], [ 0, 0, -1.5547181909031307 ], [ -2.3295137350000004, -1.344945381983181, -1.8499356519115038 ], [ -2.3295137350000004, -1.344945381983181, -5.291393118088497 ] ]
[ [ -2.3295137350000004, -4.034836145949542, -5.705663078275091e-16 ], [ -2.3295137349999995, 4.034836145949542, 2.8528315391375455e-16 ], [ 0, 0, -7.14132877 ] ]
[ 62, 62, 31, 31, 47, 47 ]
[ 1, 1, 1 ]
alex<agm002275377>
P-6m2
Ag-Ga-Sm
0.009112
null
null
-0
2,285.721717
62.6465
[ [ 0, 0, 0 ], [ 0, 0, -3.49700004 ], [ -2.345283285, -1.3540499359206801, -5.24550006 ], [ -2.3452832849999994, 1.354049935920679, -1.74850002 ], [ -2.345283285, -1.3540499359206801, -1.7485000200000003 ], [ -2.3452832849999994, 1.354049935920679, -5.24550006 ] ]
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[ 1, 1, 1 ]
alex<agm002372916>
P6_3/mmc
Ag-Ga-Sm
0.036208
null
null
-0.000002
2,285.721717
68.50901
[ [ 1.7980871849999998, 1.3447668046581684, 2.3292044300000003 ], [ 0, 0, 0 ], [ 8.234321814621204e-17, -1.3447668046581691, 2.32920443 ] ]
[ [ 3.59617437, 0, 2.2020217156981248e-16 ], [ -2.4702965443863603e-16, 4.034300413974506, 2.3292044300000008 ], [ 2.4702965443863603e-16, -4.034300413974506, 2.329204429999999 ] ]
[ 62, 31, 47 ]
[ 1, 1, 1 ]
alex<agm001266465>
P-6m2
Ag-Ga-Sm
0.012234
null
null
0
2,285.721717
66.240479
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[ [ 3.99233053, 0, 2.444597402351378e-16 ], [ -4.0418765855881014e-16, 6.600885395531534, 3.811022960000001 ], [ 4.0418765855881014e-16, -6.600885395531534, 3.8110229599999985 ] ]
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[ 1, 1, 1 ]
alex<agm002275378>
P-62m
Ag-Ga-Sm
0.068745
null
null
-0.000037
2,285.721717
70.572838
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[ [ 4.78859675, 0, 2.932169841147459e-16 ], [ -3.4345879627944604e-16, 5.60910781, 3.4345879627944604e-16 ], [ 0, 0, 6.34973745 ] ]
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[ 1, 1, 1 ]
alex<agm003628466>
Pmmn
Ag-Ga-Sm
0.076434
null
null
-0.00008
2,066.499701
45.210514
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[ 1, 1, 1 ]
alex<agm003739956>
Immm
Ag-Ga-Sm
0.07926
null
null
-0.000083
2,135.511344
57.665585
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[ [ 2.9988961931761797, 0, -0.5775060091197495 ], [ -3.0812982965774803e-16, 5.032142, 3.0812982965774803e-16 ], [ 0, 0, 8.07514677 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-1094562
Amm2
Li-Mg
0.024757
0
null
-0.000001
1,845.049362
22.322567
[ [ 0, 0, 0 ], [ -2.4720687367550576, 0, 2.630569356684901 ], [ -4.944137473510116, 0, 1.6512884433698019 ], [ -11.124309314062657, -3.356112369854288, 2.8129364306699145 ], [ -8.652240577307598, -3.356112369854288, 3.7922173439850133 ], [ -3.333304554945005, -4.3737750472276415, 1.1947981629986069 ], [ -4.082901652649963, -2.3384496924809346, 3.087059638231815 ], [ -5.80537329250974, -2.3384496924809346, 0.2155172493269992 ], [ -6.554970388595343, -4.3737750472276415, 2.1077787252732247 ], [ -6.882484072633832, -1.4491761006500683, 2.9345449000834485 ], [ -5.477859608471251, -5.263048639058507, -0.6112489254832243 ], [ -9.354552807871684, -5.263048639058507, 1.9552639874363917 ], [ -3.005790873233398, -1.4491761006500683, 0.3680319871638331 ] ]
[ [ -4.944137473510115, 0, -1.9585618266301978 ], [ -2.472068734084852, -6.712224739708576, -0.9792809121393798 ], [ -4.944137473510115, 0, 5.261138713369802 ] ]
[ 62, 31, 31, 31, 31, 47, 47, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003672044>
I4/mmm
Ag-Ga-Sm
0.046791
null
null
-0.0003
1,705.725688
69.248581
[ [ 0, 0, 0 ], [ 0, 0, 7.228599376935546 ], [ 0, 0, 3.7416332630644544 ], [ 1.8531277149999998, 1.853127715, 5.48511632 ], [ 1.8531277149999998, 1.853127715, 9.107998131164372 ], [ 1.8531277149999998, 1.853127715, 1.8622345088356291 ] ]
[ [ 3.70625543, 0, 2.2694269245859984e-16 ], [ -2.2694269245859984e-16, 3.70625543, 2.2694269245859984e-16 ], [ 0, 0, 10.97023264 ] ]
[ 62, 62, 62, 31, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003434186>
P4/mmm
Ag-Ga-Sm
0.033841
null
null
0.000726
2,488.465193
63.089458
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[ [ -3.624772191881949, 0, 0.4435417097969362 ], [ -0.09020267175865337, 4.54699135624707, -0.7371666046332239 ], [ 0.09020267175865337, -4.54699135624707, -13.660312485366775 ] ]
[ 62, 62, 62, 31, 31, 31, 31, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003378420>
Immm
Ag-Ga-Sm
0.056371
null
null
0.000215
2,180.305702
66.880203
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[ 62, 62, 62, 31, 31, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003339139>
C2/m
Ag-Ga-Sm
0.030729
null
null
0.000669
2,218.551842
60.23904
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[ [ 4.19699138, 0, 2.569916029783016e-16 ], [ -4.457645309318421e-16, 7.2798872498127745, -0.6714592669627555 ], [ 0, 0, 8.69237832 ] ]
[ 62, 62, 62, 62, 31, 31, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003367246>
P2/m
Ag-Ga-Sm
0.081245
null
null
0
2,253.107301
47.455635
[ [ -2.4799026403330533, -6.684969425488578, -0.9495765055720515 ], [ -7.411977659262163, -0.010661859818846351, 0.707188701943321 ], [ -4.959098993130479, -0.010661859818846351, 1.679417369275324 ], [ -8.631001847611667, -3.310658071048005, 3.782718693572239 ], [ -6.178123181479984, -3.310658071048005, 4.754947360904242 ], [ -5.467182122917745, -5.273437515860851, -0.6190695653255476 ], [ -4.074093741155777, -2.3475981431186486, 3.0724786587181545 ], [ -3.3189551601703022, -4.402129995470393, 1.167306168519222 ], [ -5.791178059624664, -2.3527553636024265, 0.19835402432573665 ], [ -6.5425578232158506, -4.3868006243468916, 2.0940432322294504 ], [ -6.869196754176313, -1.458927451198533, 2.918135092982865 ], [ -9.367121282442998, -5.257198732684464, 2.01402687388917 ], [ -3.001090435363335, -1.388557381017128, 0.3653512781937853 ] ]
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[ 62, 31, 31, 31, 31, 31, 47, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003679624>
Imm2
Ag-Ga-Sm
0.06046
null
null
0
1,742.824191
67.014648
[ [ 0, 0, 0 ], [ -4.480374376003635, -2.8966485937819684, -6.424492199182575 ], [ -1.2608167918959705, -0.8151424146211111, -2.6912141017654827 ], [ -2.870595583949803, -1.8558955042015397, -4.557853150474029 ] ]
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[ 1, 1, 1 ]
alex<agm001949599>
R-3m
Ag-Ga-Sm
0.097282
null
null
-0.000066
2,218.094309
62.268921
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[ [ 4.65539612, 0, 2.8506079785605034e-16 ], [ -2.2937971980658576, 5.26637918116158, 3.5173305440998775e-16 ], [ 0, 0, 6.63696329 ] ]
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[ 1, 1, 1 ]
alex<agm002338053>
Cmcm
Ag-Ga-Sm
0.041372
null
null
-0.000089
2,218.094309
66.223663
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[ 1, 1, 1 ]
alex<agm003426041>
C2/m
Ag-Ga-Sm
0.070697
null
null
0
1,930.370685
59.584034
[ [ 0.8763375265401148, 1.091564606797229, -2.2317689323005228 ], [ -1.7277934947888982, 2.537155249175328, -1.6862129535178951 ], [ 1.727793494788898, -2.537155249175328, -4.063611236482105 ], [ -0.8763375265401155, -1.0915646067972282, -3.5180552576994772 ], [ -3.473044937576099, 0.38014539859825636, -2.9430468476535228 ], [ 3.4730449375760983, -0.3801453985982561, -2.8067773423464777 ] ]
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[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-1094607
C2/c
Li-Mg
0.012266
0
null
-0.000003
1,845.049362
22.655329
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[ 1, 1, 1 ]
alex<agm003391434>
C2/m
Ag-Ga-Sm
0.025729
null
null
-0.000001
2,460.056106
56.056885
[ [ -1.8394410707443365, -3.6586331484363708, -6.624033423592945 ], [ 2.0012074244451776, -6.500251685476051, -2.3931978271763086 ], [ 1.230739850132733, -4.658293891984602, -5.167737765484459 ], [ 0.22024234627666395, -1.6224090287112565, -8.80665246170424 ], [ -0.8946353295265888, -2.0913933634763517, -3.221682027734792 ], [ -1.6651029038390328, -0.24943556998490235, -5.996221966042943 ], [ 2.1755455913504806, -3.0910541070245823, -1.7653863696263055 ], [ 0.1158621743294807, -5.127278226749697, 0.4172326684849914 ], [ 1.0484281179886998, -1.7019115024902816, -5.82426283005356 ], [ -0.7123235973825551, -5.047775752970671, -2.5651569631656908 ], [ -2.4749303644713496, 0, -8.912501455247101 ] ]
[ [ 4.949860728942699, 0, -1.3745367295057982 ], [ 0.3361045206061446, -6.749687255460953, 1.2103500267807483 ], [ -4.949860728942699, 0, -8.225233090494202 ] ]
[ 62, 62, 62, 62, 62, 62, 62, 62, 31, 31, 47 ]
[ 1, 1, 1 ]
alex<agm003529951>
C2/m
Ag-Ga-Sm
0.099005
null
null
0.000354
2,858.162638
46.29953
[ [ 0, 0, 0 ], [ 2.1281772899999996, -1.2691479234830019, 5.305634399168271 ], [ 2.1281772899999996, -1.2691479234830014, 2.198228685793097 ], [ 2.1281772900000004, -3.9602402111308086, 3.7519315424806834 ], [ -1.3264019103793389e-16, 2.1661787076940584, 3.751931580000001 ], [ 1.8430475247294766e-16, -3.009925026567134, 2.290520162051253 ], [ 2.12817729, 1.3146317626767055, 5.226854153800116 ], [ 2.9311072147112257e-17, -0.4786861349332678, 3.751931617519316 ], [ 1.8430475247294763e-16, -3.0099250265671333, 5.213343072987378 ], [ 2.128177289999999, 3.8692725327434014, 3.7519316175193165 ], [ 2.12817729, 1.3146317626767057, 2.277009081238516 ] ]
[ [ 4.25635458, 0, 2.6062655062165887e-16 ], [ -3.9792057311380174e-16, 6.498536123082174, 3.7519315800000013 ], [ 3.9792057311380174e-16, -6.498536123082174, 3.7519315799999986 ] ]
[ 62, 31, 31, 31, 31, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003663192>
P-6m2
Ag-Ga-Sm
0.054379
null
null
-0
1,766.996971
59.748093
[ [ 0.9114810652365849, 1.7663828431766917, 3.05946483 ], [ 5.042639864763415, -1.7663828431766933, 3.0594648300000005 ], [ 0, 0, 0 ], [ 4.035018799694305, 0.9434661272779469, 1.6341312676656496 ], [ 4.035018799694305, 3.412216274974184, 3.059464830000001 ], [ 4.035018799694305, 0.9434661272779464, 4.484798392334351 ], [ 1.9191021303056943, -0.9434661272779481, 4.48479839233435 ], [ 1.919102130305694, -3.4122162749741847, 3.0594648299999996 ], [ 1.9191021303056945, -0.9434661272779474, 1.6341312676656492 ] ]
[ [ 5.95412093, 0, 3.645847569330381e-16 ], [ -3.244792642447707e-16, 5.299148529530078, 3.059464830000001 ], [ 3.244792642447707e-16, -5.299148529530078, 3.059464829999999 ] ]
[ 62, 62, 31, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003506554>
P-3m1
Ag-Ga-Sm
0.09378
null
null
0.000001
1,936.613098
49.943935
[ [ 0, 0, 0 ], [ 0, 0, 7.595049854557254 ], [ 0, 0, 3.6468900154427457 ], [ 1.8178467149999997, 1.817846715, 9.348178664360352 ], [ 1.8178467149999997, 1.817846715, 1.8937612056396476 ], [ 1.8178467149999997, 1.817846715, 5.620969935 ] ]
[ [ 3.63569343, 0, 2.226220160865281e-16 ], [ -2.226220160865281e-16, 3.63569343, 2.226220160865281e-16 ], [ 0, 0, 11.24193987 ] ]
[ 62, 62, 62, 31, 31, 47 ]
[ 1, 1, 1 ]
alex<agm003418577>
P4/mmm
Ag-Ga-Sm
0.059522
null
null
0.000161
2,597.832113
57.266304
[ [ 0, 0, 0 ], [ -1.0996425936810426, -0.6762374726464886, -5.889126362067158 ], [ -6.673464104553579, -4.103921152011461, -6.8666165876082506 ], [ -5.958248772683881, -1.9585709037653052, -4.618647568748904 ], [ -3.184869333099782, -1.9585709037653052, -3.7521467393478676 ], [ -3.8865533491173108, -2.3900793123289747, -6.377871474837704 ], [ -1.8148579255507407, -2.821587720892644, -8.137095380926503 ], [ -4.436196455795258, -4.43360907476681, -4.618647568748904 ], [ -4.58823736513484, -2.821587720892644, -9.003596210327542 ], [ -3.3369102424393633, -0.3465495498911391, -8.137095380926503 ], [ -5.151311964357985, -3.1678567232741024, -2.3298021123621186 ], [ -2.6217947338766363, -1.6123019013838469, -10.42594083731329 ] ]
[ [ -2.416747429556133, -4.7801586246579495, -1.6735141548377042 ], [ -5.356359268678489, 0, -1.6735141548377042 ], [ 0, 0, -9.40871464 ] ]
[ 62, 62, 62, 31, 31, 31, 31, 31, 31, 31, 47, 47 ]
[ 1, 1, 1 ]
alex<agm002276618>
R-3m
Ag-Ga-Sm
0.077746
null
null
0.000002
2,275.302002
67.817238
[ [ 0, 0, 0 ], [ 3.3479243545185553, 2.518100685679821, 4.172092302606851 ], [ 2.4146859830481713, 5.414183768400865, 7.707796440522986 ], [ 0.801624627102313, 3.966142227040343, 5.391019007155918 ], [ 4.3099022084002065, 7.609216548409464, 8.955590591291685 ], [ 1.4527081291665205, 0.3230679056712226, 2.9242981518381517 ], [ 3.906818491468156, 5.614907370888973, 10.482729647207961 ], [ 1.8557918460985714, 2.317377083191713, 1.3971590959218765 ], [ 4.967940701762527, 6.880400394485333, 6.462519778702461 ], [ 0.7946696358042002, 1.0518840595953534, 5.417368964427376 ], [ 4.23861995463108, 3.2719910287318346, 9.225653466442623 ], [ 1.5239903829356465, 4.660293425348851, 2.654235276687214 ], [ 2.5280342458545246, 2.2182883342796944, 7.2783606882308725 ], [ 3.234576091712202, 5.713996119800992, 4.6015280548989645 ] ]
[ [ 4.159361083362101, 0, 1.0978507288180022 ], [ 1.603249254204626, 7.932284454080686, 2.353951954311835 ], [ 0, 0, 8.42808606 ] ]
[ 62, 62, 62, 31, 31, 31, 31, 31, 31, 31, 31, 31, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003359107>
Immm
Ag-Ga-Sm
0.026345
null
null
0
2,234.868241
60.838966
[ [ 3.7009402296872285, 5.286259625204357, 0.4243952087016713 ], [ 4.541449491446546, -5.286259625204355, -3.3855315360335343 ], [ 5.698054648789099, 1.8763680813248118, -2.415166072427426 ], [ 2.5443350723446754, -1.8763680813248105, -0.5459702549044376 ], [ 3.586297009302788, -5.368315476099402, 0.21070010636022518 ], [ 4.656092711830986, 5.368315476099403, -3.1718364336920892 ], [ 2.6365423292389862, 1.7943122304297652, -0.3003750714882473 ], [ 5.605847391894788, -1.7943122304297638, -2.6607612558436156 ], [ 2.4700742623310195, 0.4094080640672846, -3.5120306330290263 ], [ 5.772315458802756, -0.40940806406728325, 0.5508943056971637 ], [ 4.386262499602467, -2.8623093719781605, 2.5216287585825516 ], [ 3.856127221531308, 2.8623093719781623, -5.482765085914414 ], [ 6.218708357300153, -3.581313853264583, -0.08380140380192103 ], [ 0, 0, 0 ], [ 2.648481065797862, -2.6062652003222135, -3.765695136509648 ], [ 5.5939086553359125, 2.6062652003222144, 0.804558809177786 ], [ 5.28815791968612, 1.118418066883379e-15, -5.038900646588626 ], [ 2.954231801447654, 1.0090609823274847e-15, -6.680392830743238 ] ]
[ [ 4.047362727667243, 7.162627706529166, 3.0034873029401163 ], [ 4.195026993466532, -7.162627706529166, 2.793533519728021 ], [ 0, 0, -8.75815715 ] ]
[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 31, 31, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003502490>
Immm
Ag-Ga-Sm
0.09726
null
null
0.000004
2,720.737519
50.837078
[ [ -9.927416883693868e-17, 1.6212702128655743, 3.308646605 ], [ 2.4489906949999996, 4.797084397134426, 4.4369413339818935e-16 ], [ 2.4489906949999996, 6.0778136588495695, 3.3086466050000003 ], [ -2.085211929024844e-17, 0.3405409511504296, 2.085211929024844e-17 ], [ -1.7517199994882874e-16, 2.860775859142249, 1.7517199994882874e-16 ], [ -3.011626312351739e-16, 4.918359014939737, 4.659558874550852 ], [ 2.448990695, 1.4999955950602628, 1.350912269550852 ], [ 2.448990695, 3.55757875085775, 3.3086466050000003 ], [ 2.448990695, 1.4999955950602628, 5.266380940449149 ], [ -3.011626312351739e-16, 4.918359014939737, 1.9577343354491485 ] ]
[ [ 4.89798139, 0, 2.999148615773402e-16 ], [ -3.930108714464579e-16, 6.41835461, 3.930108714464579e-16 ], [ 0, 0, 6.61729321 ] ]
[ 62, 62, 31, 31, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003720823>
Pmmn
Ag-Ga-Sm
0.078095
null
null
-0
1,934.265449
54.181328
[ [ -1.54671628, -0.8929970606179766, -1.2309826311640002 ], [ -1.54671628, -0.8929970606179766, -6.286560368836 ], [ -1.5467162799999998, 0.8929970606179765, -8.748525631164 ], [ -1.5467162799999998, 0.8929970606179765, -13.804103368836 ], [ -1.5467162799999998, 0.8929970606179765, -3.7587715 ], [ -1.54671628, -0.8929970606179766, -11.2763145 ] ]
[ [ -1.5467162800000005, -2.67899118185393, -3.788362282982203e-16 ], [ -1.5467162799999996, 2.67899118185393, 1.8941811414911015e-16 ], [ 0, 0, -15.035086 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-977207
P6_3/mmc
Li-Mg
0.023194
0
20.581342
0.000046
1,845.049362
20.912992
[ [ 0, 0, 0 ], [ 2.27184777, 0, 5.266328595192384 ], [ -1.3911055498402762e-16, 2.27184777, 5.266328595192384 ], [ 2.27184777, 2.27184777, 1.2109039317732502 ], [ 2.27184777, 2.27184777, 6.53902159822675 ], [ -1.3911055498402762e-16, 2.27184777, 2.483596934807616 ], [ 2.27184777, 0, 2.483596934807616 ], [ 0, 0, 3.874962765 ] ]
[ [ 4.54369554, 0, 2.7822110996805524e-16 ], [ -2.7822110996805524e-16, 4.54369554, 2.7822110996805524e-16 ], [ 0, 0, 7.74992553 ] ]
[ 62, 31, 31, 31, 31, 31, 31, 47 ]
[ 1, 1, 1 ]
alex<agm002373002>
P4/mmm
Ag-Ga-Sm
0.037645
null
null
-0
2,086.970469
57.623859
[ [ 2.7272547064851853, 3.603020285464543, 7.361920268274091 ], [ 0, 0, 0 ], [ 3.5689668399968397, 1.687063698755478, 4.3550234887577925 ], [ 1.9042093063762164, 2.1562955235776298, 1.749807906120523 ], [ 4.392012240105808, 3.1337884606423914, 9.96713585091136 ], [ 0.7093099528565424, 1.6124158526625478, 6.018415994818049 ], [ 5.586911593625484, 3.6776681315574735, 5.698527762213835 ], [ 3.4976737065295946, 4.948140097093417, 4.609707903931641 ], [ 2.7985478399524304, 0.3419438871266035, 7.107235853100242 ] ]
[ [ 4.440130999856747, 0, 1.2429132751373473 ], [ 1.8560905466252786, 5.290083984220021, 1.9217054218945369 ], [ 0, 0, 8.55232506 ] ]
[ 62, 62, 62, 31, 31, 31, 31, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003339140>
C2/m
Ag-Ga-Sm
0.016039
null
null
0.000699
2,358.310194
63.076088
[ [ 1.3723249472527824e-16, -2.241176718394639, 3.881831945 ], [ -1.3723249472527819e-16, 2.241176718394639, 3.881831945 ], [ 2.221123525, 3.9268484870513355e-16, 4.719450691899821 ], [ 2.221123525, 2.6363659640906243, 1.5221065990500897 ], [ 2.2211235249999994, -2.6363659640906247, 1.5221065990500895 ], [ 2.221123525, 8.162743537741253e-17, 2.162610655617784 ], [ 2.2211235250000003, -4.850654388923995, 2.8005266171911076 ], [ -1.2726705820792744e-32, -2.1216379253946936e-16, 6.140805662640296 ], [ -8.605816259493481e-17, 1.4054364516340854, 0.8114291136798518 ], [ 2.2211235249999994, -1.872875766259921, 6.682358562191109 ], [ 8.60581625949348e-17, -1.4054364516340847, 0.8114291136798518 ] ]
[ [ 4.44224705, 0, 2.720091815402136e-16 ], [ -4.1169748417583454e-16, 6.723530155183917, 3.8818319450000014 ], [ 4.1169748417583454e-16, -6.723530155183917, 3.8818319449999987 ] ]
[ 62, 62, 31, 31, 31, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003349745>
P-62m
Ag-Ga-Sm
0.085771
null
null
-0.000103
1,932.200724
68.408348
[ [ 2.839853001324192, 3.8818349708639657, 6.291802010527867 ], [ 3.6726320173606966, 1.5420403870045496, 3.1804479779313466 ], [ 2.0070739852876875, 6.221629554723381, 9.403156043124387 ], [ 2.8267964412941806, 0.5858851968790995, 6.340582838286339 ], [ 2.852909561354204, 7.1777847448488314, 6.243021182769396 ], [ 3.6462642686646642, 4.948757700789424, 3.2789608743538654 ], [ 2.0334417339837207, 2.814912240938508, 9.304643146701869 ], [ 4.702270017587864, 6.141407320305409, 7.784509764082876 ], [ 0.9774359850605201, 1.6222626214225226, 4.799094256972858 ], [ 4.318214793527999, 4.096685220097356, 9.219382336344452 ], [ 1.3614912091203852, 3.666984721630575, 3.364221684711282 ], [ 2.1107372944284304, 0, 0.5649558714928494 ], [ 1.1690667784178375, 6.224148322162576, 4.083140530787084 ], [ 0.289164635373686, 1.5395216195653547, 7.370551747282952 ] ]
[ [ 4.221474588856861, 0, 1.1299117429856989 ], [ 1.4582314137915233, 7.763669941727931, 3.002789638070035 ], [ 0, 0, 8.45090264 ] ]
[ 62, 62, 62, 31, 31, 31, 31, 31, 31, 31, 31, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003376322>
Immm
Ag-Ga-Sm
0.006881
null
null
-0.000133
2,184.804985
61.967583
[ [ 1.8715815049999998, 1.871581505, 1.7338663211365353 ], [ 1.8715815049999998, 1.871581505, 5.407167313151956 ], [ 1.8715815049999998, 1.871581505, 9.06441975 ], [ 1.8715815049999998, 1.871581505, 12.721672186848046 ], [ 1.8715815049999998, 1.871581505, 16.394973178863467 ], [ 0, 0, 0 ], [ 0, 0, 3.5881280782765206 ], [ 0, 0, 7.241007113883586 ], [ 0, 0, 10.887832386116415 ], [ 0, 0, 14.540711421723481 ] ]
[ [ 3.74316301, 0, 2.292026299441636e-16 ], [ -2.292026299441636e-16, 3.74316301, 2.292026299441636e-16 ], [ 0, 0, 18.1288395 ] ]
[ 62, 62, 62, 62, 62, 31, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003643267>
P4/mmm
Ag-Ga-Sm
0.032302
null
null
0.001046
2,447.825938
62.411343
[ [ 2.267849854583615, 4.374037435149438, 6.174486248261574 ], [ -9.405454602302605e-11, 0.9880218348712068, 13.943687433261573 ], [ 2.267849854583615, 4.374037435149438, 1.5947149367384277 ], [ -9.405454602302605e-11, 0.9880218348712068, 9.363916121738427 ], [ 2.26784983219916, 1.2851724139527583, 3.8846005925000004 ], [ 2.2290399989013504e-8, 4.076886856067886, 11.6538017775 ], [ 2.267849832016508, 3.2038912732100497, 13.898023953296736 ], [ 2.2473052154398885e-8, 2.1581679968105947, 6.128822768296735 ], [ 2.267849832016508, 3.2038912732100497, 9.409579601703266 ], [ 2.2473052154398885e-8, 2.1581679968105947, 1.640378416703265 ], [ 2.2678498775570572, 1.2757176020831162, 7.145060698578765 ], [ -2.3067496948828583e-8, 4.0863416679375275, 14.914261883578764 ], [ 2.2678498775570572, 1.2757176020831162, 0.624140486421236 ], [ -2.3067496948828583e-8, 4.0863416679375275, 8.393341671421236 ], [ -3.4145804301308203e-10, 3.586939146285326, 3.8846005925000004 ], [ 2.267849854831018, 1.775120123735318, 11.6538017775 ] ]
[ [ 4.53569971, 0, 2.777315065872539e-16 ], [ -2.2678498555104403, 5.362059270020644, 3.564901532632845e-16 ], [ 0, 0, 15.53840237 ] ]
[ 62, 62, 62, 62, 62, 62, 31, 31, 31, 31, 47, 47, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003330982>
Cmcm
Ag-Ga-Sm
0.045267
null
null
0.000131
2,315.141666
59.604042
[ [ 0, 0, 0 ], [ 2.12348409, 2.3843407995341863, 0.5874958634458464 ], [ 2.12348409, 1.72763463729418, 6.1365972308521135 ], [ 2.12348409, 3.3610318850419696, 4.056724567927313 ], [ -1.718510954369506e-16, 2.80654137268966, 2.0871617511246625 ], [ 2.12348409, 0.750943551786397, 2.667368526370647 ], [ -7.993478240726938e-17, 1.3054340641387063, 4.6369313431732975 ] ]
[ [ 4.24696818, 0, 2.60051799385883e-16 ], [ -2.5178587784421995e-16, 4.1119754368283665, -1.1576433857020398 ], [ 0, 0, 7.88173648 ] ]
[ 62, 31, 31, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003461755>
Cmmm
Ag-Ga-Sm
0.035491
null
null
-0.000093
1,851.053046
60.952007
[ [ 1.8756158515300776, 1.2523185, 1.1747754028446302 ], [ 0.8215960280533544, 1.2523185, 3.922292020864379 ], [ 1.246471534101846, 3.7569554999999997, 5.950643851122366 ], [ 2.300491357578569, 3.7569554999999997, 3.203127233102617 ], [ 2.9100414545745745, 1.2523185, 6.113113893370746 ], [ 0.21204593105734879, 3.7569554999999997, 1.0123053605962506 ] ]
[ [ 3.122087385631924, 0, -0.6539784860330048 ], [ -3.067295685076029e-16, 5.009274, 3.067295685076029e-16 ], [ 0, 0, 7.77939774 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-976982
Cmcm
Li-Mg
0.016492
0
21.025331
-0.000047
1,845.049362
24.63233
[ [ 5.7496172960354395, 3.726598311085926, 5.048262704149984 ], [ 2.3779340287058255, 3.9125805351220224, 9.954719847231953 ], [ 0.7245780821818724, 1.649132512372556, 7.080214764963774 ], [ 4.096261349511487, 1.463150288336459, 2.173757621881804 ], [ 5.028135054414044, 4.77073097078285, 8.315292303129047 ], [ 1.446060323803268, 0.6049998526756314, 3.8131851659847125 ], [ 3.0911039975656234, 3.9591555444326176, 6.7253302461836215 ], [ 2.422975211470634, 0.8516997199446021, 9.750763613209404 ], [ 3.3830913806516882, 1.4165752790258643, 5.403147222930137 ], [ 4.0512201667466785, 4.52403110351388, 2.3777138559043536 ] ]
[ [ 4.3635038948097, 0, 0.9636247462410064 ], [ 2.1106914834076123, 5.375730823458482, 0.8035897128727517 ], [ 0, 0, 10.36126301 ] ]
[ 62, 62, 62, 62, 31, 31, 47, 47, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003403218>
C2/m
Ag-Ga-Sm
0.069745
null
null
0.000307
2,331.601315
53.708294
[ [ 1.8586490349999998, 2.65734472, 2.6573447200000007 ], [ 1.858649035, 0, 1.1380942957255335e-16 ], [ -1.62715435278956e-16, 2.65734472, 1.62715435278956e-16 ], [ 0, 0, 2.65734472 ] ]
[ [ 3.71729807, 0, 2.276188591451067e-16 ], [ -3.25430870557912e-16, 5.31468944, 3.25430870557912e-16 ], [ 0, 0, 5.31468944 ] ]
[ 65, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm001209296>
P4/mmm
In-Tb-Tm
0.004724
null
null
-0.000006
2,646.902939
51.002308
[ [ -8.53797188477887, -5.564310436397841, -9.899562681278287 ], [ -2.9882330052371273, -3.9536393223919233, -3.7368329065377823 ], [ -4.392884117301095, -0.7649775243913806, -4.317649716648587 ], [ -5.472619162777814, -6.446984732758746, -11.416947191487347 ], [ -6.877270274841781, -3.2583229347582034, -11.99776400159815 ], [ -1.3275313953000414, -1.6476518207522852, -5.835034226857645 ], [ -4.189462109140603, -6.42092784100404, -6.436229531600489 ], [ -2.54314892900028, -5.379028274647511, -9.159763263108946 ], [ -7.291088183033045, -5.168389935395378, -6.279378414594277 ], [ -5.68298103879045, -4.154420063152492, -9.063847362202905 ], [ -4.182522241288458, -3.0575421939976333, -6.670749545933025 ], [ -2.5744150970458635, -2.0435723217547483, -9.455218493541654 ], [ -7.322354351078629, -1.8329339825026154, -6.574833645026986 ], [ -5.676041170938303, -0.7910344161460868, -9.298367376535444 ], [ 0, 0, 0 ] ]
[ [ -2.296677325230553, -7.211962257150127, -3.662995279067966 ], [ -7.568825954848355, 0, -3.662995279067966 ], [ 0, 0, -8.40860635 ] ]
[ 65, 65, 65, 65, 65, 65, 69, 69, 69, 69, 69, 69, 69, 69, 49 ]
[ 1, 1, 1 ]
alex<agm003698874>
R-3
In-Tb-Tm
0.097603
null
null
-0.000006
3,047.806631
40.585777
[ [ 0, 0, 0 ], [ 0.6962187185259907, 4.000914855148709, 5.138824060625641 ], [ 3.018894192806413, 4.758107515950096, 2.7803036349666854 ], [ 1.8327911419693135, 3.2437221943473227, 8.247785818614052 ], [ 2.4676782130335533, 6.892186457618845, 5.321198927332879 ], [ 2.384007121742173, 1.1096432526785738, 5.706890526247858 ], [ 3.6209619838771006, 6.070294282530174, 8.353127589876436 ], [ 1.2307233508986266, 1.931535427767244, 2.6749618637043 ] ]
[ [ 3.4592478977237455, 0, 0.7504413323294544 ], [ 1.3924374370519814, 8.001829710297418, 1.9295217012512829 ], [ 0, 0, 8.34812642 ] ]
[ 65, 69, 69, 69, 69, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003467100>
Immm
In-Tb-Tm
0.091774
null
null
0.000006
2,895.172751
43.562767
[ [ 0, 0, 7.143488040353707 ], [ 0, 0, 2.136153299646292 ], [ 1.78408809, 1.78408809, 4.63982067 ], [ 1.78408809, 1.78408809, 2.1848777688154151e-16 ] ]
[ [ 3.56817618, 0, 2.1848777688154151e-16 ], [ -2.1848777688154151e-16, 3.56817618, 2.1848777688154151e-16 ], [ 0, 0, 9.27964134 ] ]
[ 65, 65, 69, 49 ]
[ 1, 1, 1 ]
alex<agm001154590>
P4/mmm
In-Tb-Tm
0.048048
null
null
0.000829
2,890.061188
45.02422
[ [ 4.136633880000001, -1.446281888214548, 1.4512706986367296 ], [ 4.136633880000001, -6.0839318743412285, 5.1825821803517504 ], [ 4.13663388, -0.5336963486801248, 7.333249141340495 ], [ 1.37887796, 1.4462818882145485, 7.860130741363268 ], [ 1.3788779599999996, 6.0839318743412285, 4.128819259648249 ], [ 1.3788779599999998, 0.5336963486801246, 1.9781522986595041 ], [ 1.3788779600000005, -3.0513603925441495, 2.7395839573822363 ], [ 1.3788779600000003, -4.165680692709608, 5.92846435735377 ], [ 1.37887796, -0.846869106621248, 5.299053845263991 ], [ 4.13663388, 3.051360392544148, 6.571817482617765 ], [ 4.13663388, 4.165680692709607, 3.3829370826462295 ], [ 4.13663388, 0.8468691066212476, 4.012347594736008 ], [ 4.136633880000001, -2.687970063958335, 4.65570072 ], [ 1.37887796, 2.6879700639583346, 4.6557007200000005 ] ]
[ [ 5.51551184, 0, 3.377276960257664e-16 ], [ -4.937720902545721e-16, 8.063910191875003, 4.655700720000001 ], [ 4.937720902545721e-16, -8.063910191875003, 4.655700719999998 ] ]
[ 65, 65, 65, 65, 65, 65, 69, 69, 69, 69, 69, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003542064>
P6_3/m
In-Tb-Tm
0.059636
null
null
-0.000002
2,985.014401
57.219109
[ [ 2.41181301, 0, 4.827734355 ], [ -1.4777833009518616e-16, 2.41340328, 1.4777833009518616e-16 ], [ -1.4777833009518616e-16, 2.41340328, 4.827734355 ], [ 2.41181301, 2.41340328, 7.252471079845595 ], [ 2.41181301, 2.41340328, 2.4029976301544047 ], [ 2.41181301, 0, 1.4768095414192216e-16 ], [ 0, 0, 7.256947355139551 ], [ 0, 0, 2.3985213548604483 ] ]
[ [ 4.82362602, 0, 2.953619082838443e-16 ], [ -2.9555666019037233e-16, 4.82680656, 2.9555666019037233e-16 ], [ 0, 0, 9.65546871 ] ]
[ 65, 65, 65, 69, 69, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003329849>
Pmmm
In-Tb-Tm
0.006266
null
null
0.005309
2,891.793156
44.508316
[ [ 1.3588876877950276, 3.77754675, 6.905677878352697 ], [ 0.3318300393365688, 3.77754675, 1.6863140218289312 ], [ 2.7214179003821397, 1.25918225, 5.771369770139683 ], [ 1.6943602519236811, 1.25918225, 0.5520059136159171 ], [ 2.3808067199709395, 3.77754675, 4.040431212957011 ], [ 0.6724412197477688, 1.25918225, 3.4172525790116035 ] ]
[ [ 3.053247939718709, 0, -0.6008129980313854 ], [ -3.084107024011325e-16, 5.036729, 3.084107024011325e-16 ], [ 0, 0, 8.05849679 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-977218
Cmcm
Li-Mg
0.033543
0
20.530371
0.000017
1,845.049362
21.218294
[ [ 2.453400775, 2.453400775, 3.0045494061293854e-16 ], [ 2.453400775, 2.453400775, 5.007264995 ], [ 2.453400775, 0, 2.5535907815175145 ], [ 2.453400775, 0, 7.460939208482485 ], [ -1.5022747030646927e-16, 2.453400775, 2.5535907815175145 ], [ -1.5022747030646927e-16, 2.453400775, 7.460939208482485 ], [ 0, 0, 0 ], [ 0, 0, 5.007264995 ] ]
[ [ 4.90680155, 0, 3.0045494061293854e-16 ], [ -3.0045494061293854e-16, 4.90680155, 3.0045494061293854e-16 ], [ 0, 0, 10.01452999 ] ]
[ 65, 65, 65, 65, 65, 65, 69, 49 ]
[ 1, 1, 1 ]
alex<agm003773724>
P4/mmm
In-Tb-Tm
0.015976
null
null
0.000016
2,997.923414
55.831772
[ [ 1.77548406, 1.77548406, 4.562039585 ], [ 0, 0, 7.044503717120594 ], [ 0, 0, 2.0795754528794053 ], [ 1.77548406, 1.77548406, 2.174340871016147e-16 ] ]
[ [ 3.55096812, 0, 2.174340871016147e-16 ], [ -2.174340871016147e-16, 3.55096812, 2.174340871016147e-16 ], [ 0, 0, 9.12407917 ] ]
[ 65, 69, 69, 49 ]
[ 1, 1, 1 ]
alex<agm001154589>
P4/mmm
In-Tb-Tm
0.029642
null
null
0.000001
2,893.49678
35.970192
[ [ 2.39702663, 0, 1.4677554949502334e-16 ], [ -1.4736939726066167e-16, 2.4067249, 1.4736939726066167e-16 ], [ 0, 0, 2.4067249 ], [ 2.39702663, 2.4067249, 2.4067249000000004 ] ]
[ [ 4.79405326, 0, 2.935510989900467e-16 ], [ -2.9473879452132335e-16, 4.8134498, 2.9473879452132335e-16 ], [ 0, 0, 4.8134498 ] ]
[ 65, 69, 69, 49 ]
[ 1, 1, 1 ]
alex<agm001209951>
P4/mmm
In-Tb-Tm
0.006255
null
null
0.00525
2,893.49678
46.070946
[ [ 2.55879439, -1.943565751818243, 3.3663546299999996 ], [ 0, 0, 0 ], [ -1.770213979402448e-16, 2.8909788203993836, 1.725387059462728 ], [ -2.9844406540049534e-18, 0.04873961465596172, 3.36635463 ], [ -1.770213979402448e-16, 2.8909788203993836, 5.007322200537273 ], [ 2.55879439, 0.9799279129548694, 5.035424327007235 ], [ 2.558794389999999, 3.8708414878519646, 3.3663545963364547 ], [ 2.55879439, 0.9799279129548689, 1.6972848656656727 ] ]
[ [ 5.11758878, 0, 3.133619359389704e-16 ], [ -3.5702723653449456e-16, 5.830697255454729, 3.3663546300000013 ], [ 3.5702723653449456e-16, -5.830697255454729, 3.3663546299999987 ] ]
[ 65, 69, 49, 49, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003772508>
P-6m2
In-Tb-Tm
0.077588
null
null
-0.000059
2,354.698094
33.912498
[ [ 0, 0, 0 ], [ 1.75629669, 1.75629669, 2.464858467081808 ], [ 1.75629669, 1.75629669, 6.6432698611768215 ], [ 1.75629669, 1.75629669, 10.827903185 ], [ 1.75629669, 1.75629669, 15.01253650882318 ], [ 1.75629669, 1.75629669, 19.190947902918193 ], [ 0, 0, 4.573039089949741 ], [ 0, 0, 8.742112500338012 ], [ 0, 0, 12.913693869661989 ], [ 0, 0, 17.08276728005026 ] ]
[ [ 3.51259338, 0, 2.1508431197615913e-16 ], [ -2.1508431197615913e-16, 3.51259338, 2.1508431197615913e-16 ], [ 0, 0, 21.65580637 ] ]
[ 65, 69, 69, 69, 69, 69, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003650374>
P4/mmm
In-Tb-Tm
0.038785
null
null
0.000174
2,754.651642
42.199295
[ [ 2.0789940472891295e-9, 3.8593493734435897, 2.9799339890074465 ], [ 2.658787271157385, 2.148516737032716, 8.452489304007447 ], [ 2.65878724663696, 5.986432747733876, 8.759885691230867 ], [ 2.6599418644024792e-8, 0.021433362742429747, 3.2873303762308663 ], [ 2.6587872967221315, 0.2492318196935267, 0.6146382294847448 ], [ -2.3485752481675208e-8, 5.75863429078278, 6.087193544484745 ], [ -2.543580477436981e-8, 2.138646113406509, 6.061379719966103 ], [ 2.658787298672184, 3.869219997069797, 0.5888244049661028 ], [ 2.8689041373753797e-8, 3.9005130491221127, 9.142126496159927 ], [ 2.658787244547338, 2.107353061354193, 3.669571181159927 ], [ 2.7569789621523253e-8, 1.8227855565812725, 0.533756488755596 ], [ 2.6587872456665895, 4.185080553895033, 6.0063118037555965 ] ]
[ [ 5.31757454, 0, 3.2560753198192293e-16 ], [ -2.6587872667636208, 6.007866110476306, 4.022904384604793e-16 ], [ 0, 0, 10.94511063 ] ]
[ 65, 65, 69, 69, 69, 69, 69, 69, 69, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003737612>
Cmc2_1
In-Tb-Tm
0.052485
null
null
0.000593
2,966.980058
36.121811
[ [ 0, 0, 0 ], [ 0, 0, 3.929169004111747 ], [ 0, 0, 7.743593679758065 ], [ 0, 0, 11.569764160241935 ], [ 0, 0, 15.384188835888251 ], [ 1.8274158299999999, 1.82741583, 2.003152891395197 ], [ 1.8274158299999999, 1.82741583, 5.83696856458003 ], [ 1.8274158299999999, 1.82741583, 9.65667892 ], [ 1.8274158299999999, 1.82741583, 13.476389275419969 ], [ 1.8274158299999999, 1.82741583, 17.310204948604802 ] ]
[ [ 3.65483166, 0, 2.237938946920704e-16 ], [ -2.237938946920704e-16, 3.65483166, 2.237938946920704e-16 ], [ 0, 0, 19.31335784 ] ]
[ 65, 69, 69, 69, 69, 49, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003650376>
P4/mmm
In-Tb-Tm
0.000438
null
null
0.000002
2,651.731664
40.881893
[ [ -4.225226868788014, -2.615376158901904, -4.2575288523205 ], [ -3.1148762567953883, -1.9280794506281898, -7.635445473453441 ], [ 0, 0, 0 ], [ -6.221985730270501, -3.851351334572267, -6.738746697762974 ], [ -1.1181173953129004, -0.6921042749578262, -5.1542276280109665 ], [ -5.2606403127426855, -3.256287456690355, -9.663358792307223 ], [ -2.0794628128407164, -1.287168152839739, -2.2296155334667187 ] ]
[ [ -2.263873167026332, -4.543455609530094, -1.6686009128869708 ], [ -5.07622995855707, 0, -1.6686009128869708 ], [ 0, 0, -8.5557725 ] ]
[ 65, 65, 69, 69, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003303859>
R-3m
In-Tb-Tm
0.02969
null
null
0.000142
2,860.407705
47.336174
[ [ 2.6959984788876397, 3.3251548785276572, 5.583464753655653 ], [ 2.6959984788876397, 3.3251548785276572, 2.015732106344349 ], [ -8.628466595630437e-10, 2.5792885764923756, 9.61492896634435 ], [ -8.628466595630437e-10, 2.5792885764923756, 13.182661613655652 ], [ 2.695998451398013, 4.908401337374093, 13.848244869835613 ], [ 2.695998451398013, 4.908401337374093, 8.949345710164389 ], [ -1.5379311418741375e-9, 4.597304064638882, 6.780975527754332 ], [ -1.5379311418741375e-9, 4.597304064638882, 0.8182213322456693 ], [ 2.695998479891799, 0.3234421059776626, 3.79959843 ], [ -1.8670063153954887e-9, 5.58100134904237, 11.39879529 ], [ 2.695998479562724, 1.3071393903811506, 8.41741819224567 ], [ 2.695998479562724, 1.3071393903811506, 14.380172387754332 ], [ 2.6626779881906422e-8, 0.9960421176459402, 1.3501488501643886 ], [ 2.6626779881906422e-8, 0.9960421176459402, 6.249048009835612 ], [ 2.695998479015139, 2.9440228173283756, 11.39879529 ], [ -9.903462497757247e-10, 2.960420637691657, 3.7995984300000005 ] ]
[ [ 5.39199696, 0, 3.3016459090381296e-16 ], [ -2.695998481975207, 5.904443455020033, 3.9744864425920037e-16 ], [ 0, 0, 15.19839372 ] ]
[ 65, 65, 65, 65, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003467101>
Cmcm
In-Tb-Tm
0.097409
null
null
0.000737
3,001.122783
43.339413
[ [ -2.243042682961417e-12, 0.011502837114021454, 0.007417110751442881 ], [ 1.5501009995282495, 2.4192448947335174, 6.179730889287699 ], [ -7.101374905371237e-10, 3.6417481232435818, 3.8156004564475 ], [ 1.550022461195264, 1.8157489812599092, 1.9111019137261185 ], [ -1.2215873143329845e-10, 0.6264580163489468, 4.298814653121839 ], [ -8.177483443048811e-10, 4.193601090924032, 0.757497068309769 ] ]
[ [ 3.100202, 0, 1.8983262280051113e-16 ], [ -1.5501010010620466, 5.44641908807834, -1.57959349174106 ], [ 0, 0, 7.29031336 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
mp-982380
Cm
Li-Mg
0.007871
0
null
-0.000048
1,845.049362
22.086369
[ [ 1.78612654, 1.78612654, 2.438936884797977 ], [ 1.78612654, 1.78612654, 6.656294343688104 ], [ 1.78612654, 1.78612654, 10.87685743 ], [ 1.78612654, 1.78612654, 15.097420516311896 ], [ 1.78612654, 1.78612654, 19.314777975202023 ], [ 0, 0, 0 ], [ 0, 0, 4.560251041982323 ], [ 0, 0, 8.771482437230725 ], [ 0, 0, 12.982232422769274 ], [ 0, 0, 17.193463818017676 ] ]
[ [ 3.57225308, 0, 2.1873741500831368e-16 ], [ -2.1873741500831368e-16, 3.57225308, 2.1873741500831368e-16 ], [ 0, 0, 21.75371486 ] ]
[ 65, 65, 65, 65, 65, 69, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003650373>
P4/mmm
In-Tb-Tm
0.02697
null
null
0.000089
2,744.934287
57.337418
[ [ -1.6526934364520566e-16, 2.6990532088153523, 4.67489729 ], [ 3.3788014800000004, -2.6990532088153523, 4.67489729 ], [ 1.6526934364520569e-16, -2.6990532088153514, 4.674897289999999 ], [ 3.3788014799999995, 2.699053208815352, 4.6748972900000005 ], [ 1.6894007399999997, 2.706235362413477, 7.787348865020094 ], [ 1.68940074, -6.434762908582221e-17, 3.1248914299598107 ], [ 1.6894007399999997, 5.390924264032578, 3.1124515750200956 ], [ 5.068202219999999, 5.390924264032576, 6.237343004979906 ], [ 5.06820222, -3.689546953298014e-16, 6.224903150040188 ], [ 5.068202220000001, -5.390924264032579, 6.237343004979904 ], [ 0, 0, 0 ], [ 3.37880148, -4.8488152598597825e-49, 2.0689192087181697e-16 ], [ 1.6894007399999997, 5.4169516119926335, 6.222316108628876 ], [ 1.68940074, -2.7897289527719285e-16, 6.254956942742249 ], [ 1.6894007400000002, -5.4169516119926335, 6.222316108628874 ], [ 5.068202219999999, 2.6802080144534215, 7.802375761371125 ], [ 5.06820222, -1.6511631457286977e-16, 3.094837637257751 ], [ 5.068202220000001, -2.680208014453423, 7.802375761371123 ] ]
[ [ 6.75760296, 0, 4.1378384174363394e-16 ], [ -4.95808030935617e-16, 8.097159626446055, 4.674897290000001 ], [ 4.95808030935617e-16, -8.097159626446055, 4.674897289999998 ] ]
[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 69, 69, 49, 49, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003566773>
P6_3/mcm
In-Tb-Tm
0.005972
null
null
0.004789
2,810.324873
46.962582
[ [ 2.4871694614193967, -3.2225540320645347, -1.0386718277638194 ], [ -1.5860573105949323, -0.719645014902341, -5.069229265179763 ], [ -0.5878161294838136, -1.4982984373544979, -1.8787308942719891 ], [ 0.715223676268188, -5.385742972222558, 2.2859405917150317 ], [ 1.7055250016949461, -5.924955119929977, -3.5369011179323437 ], [ 2.7037661828060657, -6.703608542382134, -0.346402747024571 ], [ -1.3694605892082639, -4.200699525219941, -4.376960184440513 ], [ 0.40248519594294624, -2.037510585061917, -7.701572603919365 ], [ -0.29960171621979226, -4.827752739619025, -0.9575629065814177 ], [ 1.4173105884309247, -2.59550081766545, -4.458069105622916 ], [ -2.5614036713735278, 0, -8.1865531361027 ] ]
[ [ 5.122807342747055, 0, -1.602820787794598 ], [ 1.117708872211133, -7.4232535572844744, 3.5723315177956674 ], [ -5.122807342747055, 0, -7.385142742205402 ] ]
[ 65, 65, 65, 65, 65, 65, 65, 65, 69, 69, 49 ]
[ 1, 1, 1 ]
alex<agm003517225>
C2/m
In-Tb-Tm
0.096345
null
null
-0.000037
3,026.744046
53.684406
[ [ 3.281688651012501, -0.14010916494046438, 5.9224054639339325 ], [ 0.8734741110092713, 0.9290406269213206, 3.519444498121604 ], [ 2.191194905177319, -1.2999752451312983, 1.5285347753216076 ] ]
[ [ 0.21025254675435606, -3.4069362956858176, 0.847159834350915 ], [ 3.4134177969123694, 0, -0.847159834350915 ], [ -0.21025254675435606, 3.4069362956858176, 6.453174975649085 ] ]
[ 65, 69, 49 ]
[ 1, 1, 1 ]
alex<agm001842420>
I4mm
In-Tb-Tm
0.038435
null
null
0.000658
2,814.691208
32.824173
[ [ 0, 0, 0 ], [ 1.9275734565162503, 3.017453950938638, 11.286639645846991 ], [ 3.283255726135724, 3.120235327331188, 2.691285275157765 ], [ 2.8177469266142112, 1.2597408996285129, 5.642723993226191 ], [ 0.5548546093909194, 1.9424567006864408, 8.236048502302017 ], [ 4.655974573261055, 4.195232577583385, 5.74187641870274 ], [ 2.393082256037763, 4.877948378641313, 8.335200927778565 ], [ 3.8004695079416764, 5.653485927699942, 11.165985747594377 ], [ 1.4103596747102982, 0.48420335056988384, 2.81193917341038 ] ]
[ [ 3.6177360586714915, 0, 0.570599018195378 ], [ 1.593093123980483, 6.137689278269826, 1.6533647128093782 ], [ 0, 0, 11.75396119 ] ]
[ 65, 69, 69, 69, 69, 69, 69, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003502173>
C2/m
In-Tb-Tm
0.033246
null
null
0.000871
2,919.85051
38.784763
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alex<agm003564579>
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alex<agm003545891>
P6_3/m
In-Tb-Tm
0.07568
null
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End of preview. Expand in Data Studio

Alex-MP-20

This is a version of the Alex-MP-20 dataset with custom training/validation/testing splits created for the Open Materials Generation (OMatG) crystal structure prediction model.

The original dataset was created as a training dataset for the MatterGen materials design model. The original citation information is provided below.


Alex-MP-20 was published under the MIT license by:

Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Zilong Wang, Aliaksandra Shysheya, Jonathan Crabbé, Shoko Ueda, Roberto Sordillo, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-Wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Chunlei Yang, Wenjie Li, Ryota Tomioka, A generative model for inorganic materials design, Nature (2025), 10.1038/s41586-025-08628-5

This dataset contains structures from the Alexandria (Schmidt et al. 2022) and MP-20 datasets. For details on MP-20, see here.

The Alexandria dataset was published under Creative Commons Attribution 4.0 International by:

Jonathan Schmidt, Noah Hoffmann, Hai-Chen Wang, Pedro Borlido, Pedro J. M.A. Carriço, Tiago F. T. Cerqueira, Silvana Botti, Miguel A. L. Marques, Large-scale machine-learning-assisted exploration of the whole materials space, Materials Cloud Archive 2022.126 (2022), https://doi.org/10.24435/materialscloud:m7-50

Additional information pertaining to the creation of Alex-MP-20 can be found here


Open Materials Generation (OMatG)

About

OMatG is a generative model for crystal structure prediction and de novo generation of inorganic crystals.
This repository hosts our model checkpoints and benchmark datasets.

Citation

Please cite our paper on OpenReview if using our models or datasets.

Links

OMatG on GitHub: See this repository for installation, training and usage instructions.
KIM Initiative: Knowledgebase of Interatomic Models. Tools and resources for researchers in materials science and chemistry.
Fermat-ML on GitHub: Foundational Representation of Materials. Machine learning foundation model for materials and chemistry discovery.

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