pos
listlengths
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cell
listlengths
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atomic_numbers
listlengths
1
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pbc
listlengths
3
3
ids
stringlengths
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space_group
stringclasses
179 values
chemical_system
stringlengths
1
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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
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alex<agm005091958>
P-31c
Cl-In-Tm-V
0
null
null
0.011097
2,275.453974
10.36113
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alex<agm004958256>
R3
Ag-Cd-Cl-Mg
0.049308
null
null
0.000001
1,379.043842
30.190517
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alex<agm001342181>
F-43m
Ce-Cu-Dy-Zn
0.084747
null
null
-0.003364
2,682.538215
68.177368
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[ 1, 1, 1 ]
alex<agm001294448>
F-43m
Cr-Nb-Os-Ti
0.073266
null
null
0.00631
7,411.081482
237.31749
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[ 66, 66, 24, 1, 1, 1, 1, 1, 1 ]
[ 1, 1, 1 ]
alex<agm002340517>
Fm-3m
Cr-Dy-H
0.047672
null
null
0.000035
3,237.922116
98.847061
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[ 1, 1, 1 ]
alex<agm002148222>
Immm
F-Sc-Sn
0.046074
null
null
0.000009
2,067.308093
48.685997
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[ 1, 1, 1 ]
alex<agm003757483>
P2/m
Ca-I-Y
0.065314
null
null
0.003744
4,284.999405
5.517001
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[ 66, 66, 30, 27, 27, 27, 32, 32, 32, 32 ]
[ 1, 1, 1 ]
alex<agm004511389>
P-4m2
Co-Dy-Ge-Zn
0.091081
null
null
0.003426
2,519.560657
106.990036
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[ 55, 55, 59, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-1113230
Fm-3m
Ag-Cs-F-Pr
0.027992
3.2577
null
-0.000003
3,744.457081
35.84301
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[ 1, 1, 1 ]
alex<agm005199282>
R3m
C-H-Nb-Sc
0.093523
null
null
0.000667
6,845.016466
147.852325
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alex<agm004966739>
R-3m
Pb-Rb-Tl-Zn
0.087964
null
null
0.000128
5,685.439554
19.717833
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alex<agm004778835>
Cmcm
Ce-Cu-N-Pr
0.016359
null
null
-0.000112
2,642.560413
123.466034
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alex<agm005138523>
P4/mbm
B-Dy-Hf-Rh
0.02615
null
null
-0.000033
5,416.337105
172.506226
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alex<agm005197930>
R3m
La-P-Se-Y
0.010117
null
null
-0.000083
2,871.25529
57.402702
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[ 1, 1, 1 ]
alex<agm005200482>
R3m
I-La-Ni-Tb
0.058119
null
null
0.000389
3,352.008541
36.438892
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alex<agm004972642>
P2_1/c
Br-I-Mn-Tl
0.055981
null
null
0.010751
6,236.291516
7.471423
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alex<agm004527482>
P-4m2
As-La-Pd-Sn
0.052241
null
null
0.000213
5,115.400542
93.367508
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alex<agm005214653>
Pmmm
Al-Cu-Ga-Ta
0.03897
null
null
0
3,292.289769
139.032013
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[ 62, 62, 62, 62, 62, 62, 14, 14, 82, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm004598848>
C2/m
Pb-S-Si-Sm
0.096125
null
null
-0.000153
2,632.918716
60.662006
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[ 1, 1, 1 ]
alex<agm004676720>
P-3m1
Ag-Cs-F-Pr
0.023627
null
null
0.003284
3,656.971721
30.856724
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[ 55, 48, 48, 48, 48, 83, 33, 33 ]
[ 1, 1, 1 ]
alex<agm004772628>
P4/mmm
As-Bi-Cd-Cs
0.034754
null
null
0.000073
3,436.708864
29.777283
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[ 1, 1, 1 ]
alex<agm004968714>
P2_1/c
In-O-Pd-Sm
0.076412
null
null
0.007549
3,335.563595
152.034027
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[ 38, 38, 38, 38, 62, 62, 74, 74, 7, 7, 7, 7, 7, 7, 7, 7 ]
[ 1, 1, 1 ]
alex<agm004853102>
Pmn2_1
N-Sm-Sr-W
0.085255
null
null
0.006545
3,201.534378
64.55114
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[ 4, 83, 83, 46, 46, 46, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003532711>
C2/m
Be-Bi-Pd
0.081013
null
null
-0.000177
7,317.884823
127.211182
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[ 57, 57, 57, 67, 15, 15, 15, 15 ]
[ 1, 1, 1 ]
alex<agm003560866>
Cmmm
Ho-La-P
0.020881
null
null
0.000057
3,451.205419
74.249573
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[ 67, 67, 72, 25, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm004959901>
R3
Hf-Ho-Mn-S
0.043975
null
null
0.022094
2,352.746611
56.59919
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[ 1, 1, 1 ]
alex<agm004952012>
P2_1/c
Nd-O-Sc-V
0.000427
null
null
0.015764
2,743.26014
157.495621
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[ 1, 1, 1 ]
alex<agm004726667>
R-3m
Ga-Na-S-Sm
0.099604
null
null
0.000012
2,109.006141
33.358463
[ [ 1.5637506879446926e-16, -2.5537986773548695, 5.692651666173055 ], [ 4.29627225, 2.5537986773548704, 5.692651666173056 ], [ -2.1608391386505495e-33, 3.097211569931119e-17, 2.9488727076538885 ], [ 2.148136125, 3.780823410693313e-16, 5.371600596570432 ], [ 2.1481361249999993, 4.651942575613639, 4.481287721714784 ], [ 2.1481361250000006, -4.65194257561364, 4.481287721714783 ], [ 0, 0, 0 ], [ 2.1481361249999997, 2.0689600988263703, 3.5835440100000007 ], [ 2.148136125, -2.0689600988263717, 3.5835440099999993 ] ]
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[ 65, 65, 65, 13, 13, 13, 48, 32, 32 ]
[ 1, 1, 1 ]
alex<agm002248620>
P-62m
Al-Cd-Ge-Tb
0.077402
null
null
-0.00028
2,429.590787
74.601082
[ [ 0, 0, 0 ], [ -3.710698892073036, -3.7292005940442907, -8.106762883200547 ], [ -0.3391851159630791, -0.3408763073292232, -5.69406436521259 ], [ -2.2586101055740415, -2.2698716313022174, -3.271085131938888 ], [ -1.791273902462074, -1.8002052700712967, -10.52974211647425 ], [ -2.0249420040180577, -2.035038450686757, 0.27163462079343126 ], [ -1.723455314341463, -1.7320485355955069, -8.255239643911551 ], [ -2.3264286936946523, -2.338028365778007, -5.545587604501586 ], [ -1.8625280760640301, -3.914632972064716, -11.624551873868242 ], [ -3.9053210615568936, -1.8819749058537274, -11.624551873868242 ], [ -0.1445629464792216, -2.1881019955197862, -2.1762753745448946 ], [ -2.187355931972085, -0.1554439293087981, -2.1762753745448946 ] ]
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[ 57, 81, 81, 15, 15, 78, 78, 78, 78, 78, 78, 78 ]
[ 1, 1, 1 ]
alex<agm004591672>
C2/m
La-P-Pt-Tl
0.093786
null
null
0.000084
8,014.536334
127.191429
[ [ 1.1102230246251565e-15, 14.8674105789973, 1.7763568394002505e-15 ], [ -5.93386755938339e-16, 4.955803526332436, -5.151061244212819e-18 ], [ 0, 0, 0 ], [ 8.881784197001252e-16, 9.911607052664868, 1.7763568394002505e-15 ], [ 2.5111593368787464, 11.687264848411743, 2.7524569918725226e-16 ], [ -1.2555796684393732, 11.687264848411742, 2.17472777868748 ], [ -2.511159336878746, 8.135949256917991, 3.8058599309941603e-16 ], [ 1.255579668439373, 8.135949256917991, 2.17472777868748 ], [ -1.2555796684393732, 11.687264848411742, -2.174727778687479 ], [ 1.255579668439373, 8.135949256917991, -2.174727778687479 ] ]
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[ 55, 55, 39, 49, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
mp-1112628
Fm-3m
Cl-Cs-In-Y
0.015337
3.496
null
0
3,480.724144
8.569174
[ [ 0, 0, 6.6427077685748275 ], [ 0, 0, 2.9143746528860888 ], [ 1.8519700649999997, 1.851970065, 0.9690624020773883 ], [ 1.8519700649999997, 1.851970065, 4.497392323319024 ] ]
[ [ 3.70394013, 0, 2.2680092122189657e-16 ], [ -2.2680092122189657e-16, 3.70394013, 2.2680092122189657e-16 ], [ 0, 0, 7.79245268 ] ]
[ 59, 68, 49, 47 ]
[ 1, 1, 1 ]
alex<agm005185276>
P4mm
Ag-Er-In-Pr
0.027668
null
null
0.002465
2,516.644857
53.035183
[ [ 1.9335108349999999, 1.9402104, 3.8837175900000003 ], [ 1.9335108349999999, 1.9402104, 2.371970155615941e-16 ], [ 0, 0, 1.5153991845718144 ], [ 0, 0, 6.2520359954281854 ] ]
[ [ 3.86702167, 0, 2.3678678551994762e-16 ], [ -2.376072456032406e-16, 3.8804208, 2.376072456032406e-16 ], [ 0, 0, 7.76743518 ] ]
[ 56, 39, 47, 47 ]
[ 1, 1, 1 ]
alex<agm003166609>
P4/mmm
Ag-Ba-Y
0.058926
null
null
0.000252
1,921.03471
43.619877
[ [ 0, 0, 0 ], [ 2.1703362990689543, -1.710063233516613, 1.5523265093455124e-16 ], [ 1.0851681495344772, -0.8550316167583062, 2.24360469 ], [ 2.4325705147254326, 0.8550316167583066, 0.5421739634248198 ] ]
[ [ 0.8229339338779996, -3.420126467033226, 1.7014307265751805 ], [ 3.5177386642599098, 0, -1.7014307265751805 ], [ -0.8229339338779996, 3.420126467033226, 2.7857786534248197 ] ]
[ 24, 14, 77, 77 ]
[ 1, 1, 1 ]
alex<agm003176874>
I4/mmm
Cr-Ir-Si
0.06433
null
null
0.038733
8,050.577656
277.783569
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[ 72, 72, 72, 72, 72, 72, 81, 81, 44 ]
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alex<agm002352823>
P-62m
Hf-Ru-Tl
0.05745
null
null
0.001011
3,953.744571
105.418777
[ [ 0, 3.1443568595019684, 5.070784486749246e-16 ], [ 0, 6.288713719003937, 1.0141568973498493e-15 ], [ 4.440892098500626e-16, 9.433070578505905, 9.511676585249871e-16 ], [ 0, 0, 0 ] ]
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[ 57, 46, 82, 79 ]
[ 1, 1, 1 ]
alex<agm001375080>
F-43m
Au-La-Pb-Pd
0.042492
null
null
-0.000015
2,851.295189
68.477844
[ [ -1.1679257763292807e-16, 1.90736754, 6.760294570652407 ], [ 1.90736754, 0, 1.2565030793475938 ], [ -1.1679257763292807e-16, 1.90736754, 2.6915731112310524 ], [ 1.90736754, 0, 5.325224538768948 ], [ 0, 0, 4.008398825 ], [ 1.9073675399999999, 1.90736754, 4.008398825 ], [ 1.90736754, 0, 6.944323928603053 ], [ -1.1679257763292807e-16, 1.90736754, 1.0724737213969482 ] ]
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[ 62, 62, 4, 4, 78, 78, 7, 7 ]
[ 1, 1, 1 ]
alex<agm005209226>
P4/nmm
Be-N-Pt-Sm
0.004105
null
null
-0.00016
6,199.898523
129.994644
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[ [ 4.21403747, 0, 2.580353749561255e-16 ], [ -5.761757951431227e-16, 9.40966482, 5.761757951431227e-16 ], [ 0, 0, 9.40966482 ] ]
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[ 1, 1, 1 ]
alex<agm005132506>
P4/mbm
In-Pt-Rh-Sm
0.075374
null
null
-0.000073
7,317.700932
158.638107
[ [ 1.5907249242718589, 5.12443078607247, 8.224601363791734 ], [ -1.585185925566001e-8, 1.584756742666149, 6.944873919574108 ], [ 1.5972881170809946e-8, 1.8777778890037153, 3.170647428791735 ], [ 1.5907249560965995, 5.417451932410036, 1.8909199845741078 ], [ 1.5907249401416652, 4.053145445372963, 5.280542804642711 ], [ 1.0307520013223658e-10, 2.9490632297032215, 0.22658886964271155 ], [ 1.5907249241161932, 0.6707042472133096, 9.505840041315006 ], [ 1.612854722507255e-8, 6.331504427862875, 4.451886106315006 ], [ -1.5736510835311715e-8, 4.884967853360479, 0.07818355550458468 ], [ 1.590724940084122, 2.4067955246486754, 8.91235463504427 ], [ 2.4117158415055565e-10, 6.900111431003328, 7.960084894685658 ], [ -1.57634846145114e-8, 4.113227966931541, 6.696219588130265 ], [ 1.5907249243196868, 6.492831814632293, 5.265451496034645 ], [ 1.590724955981251, 2.1172408217157055, 5.132137490504585 ], [ 1.606180080422097e-10, 4.59541315042751, 3.85840070004427 ], [ 1.5907249400035688, 0.10209724407285684, 2.906130959685658 ], [ 1.5907249560082244, 2.888980708144644, 1.6422656531302646 ], [ 1.5925053064494385e-8, 0.5093768604438919, 0.21149756103464393 ] ]
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[ 58, 58, 58, 58, 41, 41, 14, 14, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]
[ 1, 1, 1 ]
alex<agm005151829>
Cmc2_1
Ce-N-Nb-Si
0.078933
null
null
0.009288
3,712.191402
186.290512
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[ 60, 60, 68, 15, 15, 15, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm004539468>
P-4m2
Er-Nd-P-Rh
0.098561
null
null
0.000244
5,393.889233
135.737091
[ [ -1.4563161794176101e-16, 2.37834481, 2.486522515 ], [ 0, 0, 0 ], [ 2.310849325, 2.37834481, 2.8713032940041457e-16 ], [ 2.310849325, 0, 2.486522515 ] ]
[ [ 4.62169865, 0, 2.8299742291730716e-16 ], [ -2.9126323588352203e-16, 4.75668962, 2.9126323588352203e-16 ], [ 0, 0, 4.97304503 ] ]
[ 58, 48, 49, 82 ]
[ 1, 1, 1 ]
alex<agm005188585>
Pmmm
Cd-Ce-In-Pb
0.006299
null
null
0.007582
2,059.177088
50.888233
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[ [ 7.925080903243236, 0, 0.015432976120778687 ], [ -5.00737642939509e-16, 8.1776663, 5.00737642939509e-16 ], [ 0, 0, 11.35037419 ] ]
[ 55, 55, 55, 55, 39, 39, 49, 49, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm004928365>
P2_1/c
Cl-Cs-In-Y
0
null
null
0
3,480.724144
10.213815
[ [ 0, 0, -4.921210655 ], [ -3.790725360455957, 0, -6.704154981308039 ], [ -9.057514959755094, -3.4915373578428532, -10.270043633924118 ], [ -5.266789599299137, -3.4915373578428532, -13.408309962616078 ], [ -9.057514959755094, -3.4915373578428532, -15.191254288924117 ], [ -3.790725360455957, 0, -11.62536563630804 ], [ 0, 0, 0 ], [ -7.692440412643406, -5.099585348406296, -13.172334414746066 ], [ -2.841138785954867, -1.8834893672794104, -3.80186420048609 ], [ -2.245536299941101, -1.4886438373539561, -9.603086328841306 ], [ -8.288042898657173, -5.494430878331751, -7.37111228639085 ], [ -6.333823290419871, -1.4886438373539561, -11.525986935155958 ], [ -4.199755908178402, -5.494430878331751, -5.448211680076198 ], [ -3.83746756663874, -5.25425738080586, -11.525986935155958 ], [ -6.696111631959532, -1.7288173348798468, -5.448211680076198 ] ]
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[ 55, 55, 55, 62, 62, 62, 41, 34, 34, 34, 34, 34, 34, 34, 34 ]
[ 1, 1, 1 ]
alex<agm004690870>
R-3m
Cs-Nb-Se-Sm
0.069527
null
null
0.001939
3,689.32798
16.792322
[ [ 0.5170052044704921, 0, 1.4396552524050983 ], [ 3.1015513125609466, 2.18197167, 2.9901985228002324 ], [ 2.0947117740206567, 2.18197167, 0.18654815824885612 ], [ 1.471080540737109, 0, 4.096378158034551 ] ]
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[ 62, 68, 78, 45 ]
[ 1, 1, 1 ]
alex<agm005205930>
Amm2
Er-Pt-Rh-Sm
0.067928
null
null
-0.000038
5,820.464305
120.160568
[ [ 2.506887840712857, 0, 3.838319048948912 ], [ 0.8121335950702063, 1.4636500702893138, 6.935904686368374 ], [ 3.4478513798472954, 3.4205002205433224, 3.250375245084461 ], [ -0.3768953532541062, 2.442075145416318, 4.264430941777507 ], [ 0.451130153120548, 4.256220632046305, 4.837432468389405 ], [ 2.5793649124659894, 2.9388658084673187, 6.6524551585159735 ], [ 3.796034636113366, 0.4372956073207958, 2.415490842868777 ], [ 1.6806200624515124, 1.945284482365317, 3.533824772936862 ], [ 0.46395033880413594, 4.44685468351184, 7.770789088584059 ], [ 3.8088548217969533, 0.627929658786331, 5.34884746306343 ] ]
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[ 30, 47, 47, 79, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm004956793>
P-1
Ag-Au-F-Zn
0.077371
null
null
0.00679
1,341.423838
52.822643
[ [ 2.44652575, 0, 3.257097385600692 ], [ -1.498064964384539e-16, 2.44652575, 9.457162464399307 ], [ 2.44652575, 2.44652575, 6.357129925 ], [ 0, 0, 6.357129925 ], [ 2.44652575, 0, 10.884528973602157 ], [ -1.498064964384539e-16, 2.44652575, 1.8297308763978435 ], [ 2.44652575, 2.44652575, 2.996129928769078e-16 ], [ 0, 0, 0 ], [ 2.44652575, 0, 7.980774092063209 ], [ -1.498064964384539e-16, 2.44652575, 4.7334857579367915 ] ]
[ [ 4.8930515, 0, 2.996129928769078e-16 ], [ -2.996129928769078e-16, 4.8930515, 2.996129928769078e-16 ], [ 0, 0, 12.71425985 ] ]
[ 37, 37, 13, 48, 48, 48, 50, 50, 50, 50 ]
[ 1, 1, 1 ]
alex<agm004523746>
P-4m2
Al-Cd-Rb-Sn
0.023593
null
null
0.000168
2,228.479222
34.343517
[ [ 2.17617092, 2.19390316, 2.6758986170544076e-16 ], [ -1.3433782412666319e-16, 2.19390316, 2.443356985 ], [ 0, 0, 0 ], [ 2.17617092, 0, 2.443356985 ] ]
[ [ 4.35234184, 0, 2.665040751575551e-16 ], [ -2.6867564825332637e-16, 4.38780632, 2.6867564825332637e-16 ], [ 0, 0, 4.88671397 ] ]
[ 21, 49, 50, 80 ]
[ 1, 1, 1 ]
alex<agm005214551>
Pmmm
Hg-In-Sc-Sn
0.014802
null
null
-0.000056
2,596.055792
61.527588
[ [ 0.23421485640514766, 0.6899867919022561, 2.3654658957295593 ], [ 3.4759851494047758, 2.893820653097744, 7.086338023304132 ], [ 6.249325729594108, 6.477628098097744, 7.076278359419587 ], [ 3.0075554365944797, 4.273794236902257, 2.3554062318450137 ], [ 3.241770292999628, 0, -0.03175923742542703 ], [ -2.1944491581398521e-16, 3.583807445, 4.752631365 ], [ 3.241770292999628, 0, 4.720872127574573 ], [ -2.1944491581398521e-16, 3.583807445, 2.1944491581398521e-16 ], [ 2.0363226128615324, 2.2404895454759903, 0.4875940640125721 ], [ 5.27809290586116, 1.3433178995240098, 5.208466191587145 ], [ 4.4472179731377235, 4.92712534452401, 8.954150191136574 ], [ 1.2054476801380951, 5.8242969904759905, 4.233278063562001 ], [ 2.0848739581857294, 2.1896330958708243, 4.224004284675131 ], [ 5.326644251185357, 1.394174349129176, 8.944876412249705 ], [ 4.398666627813527, 4.9779817941291755, 5.217739970474015 ], [ 1.1568963348138983, 5.7734405408708245, 0.4968678428994419 ], [ 5.78582071970672, 3.4190672710728354, 2.267258213166679 ], [ 2.5440504267070922, 0.16474017392716442, 7.051648815592105 ], [ 0.6977198662925355, 3.748547618927165, 7.174486041982468 ], [ 3.939490159292163, 7.002874716072836, 2.3900954395570406 ] ]
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[ 57, 57, 57, 57, 21, 21, 22, 22, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm004967100>
P2_1/c
La-S-Sc-Ti
0.026106
null
null
0.004471
2,366.671879
60.360313
[ [ -1.930512684815615e-17, 4.427073712780143, 4.277794229956563e-17 ], [ 8.881784197001252e-16, 13.281221138340428, 1.887379141862766e-15 ], [ 0, 0, 0 ], [ 8.881784197001252e-16, 8.854147425560287, 1.7763568394002505e-15 ], [ -0.9955943143346649, 10.262130407513911, 1.7244199361543422 ], [ 0.9955943143346663, 7.446164443606658, 1.7244199361543422 ], [ -1.99118862866933, 7.446164443606659, 1.696271204792694e-15 ], [ 1.991188628669332, 10.262130407513913, 1.3441089039947943e-15 ], [ -0.9955943143346645, 10.262130407513913, -1.7244199361543384 ], [ 0.9955943143346667, 7.446164443606659, -1.7244199361543384 ] ]
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[ 37, 37, 49, 28, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm004931347>
Fm-3m
Cl-In-Ni-Rb
0.077204
null
null
0.00412
2,983.616523
14.981547
[ [ 2.11071671, 0, 2.608261253466315 ], [ -1.2924412314041661e-16, 2.11071671, 7.795819216533685 ], [ 2.11071671, 2.11071671, 2.5848824628083323e-16 ], [ 0, 0, 0 ], [ 2.11071671, 0, 6.584227319398126 ], [ -1.2924412314041661e-16, 2.11071671, 3.8198531506018747 ], [ 2.11071671, 2.11071671, 5.202040235 ], [ 0, 0, 5.202040235 ], [ 2.11071671, 0, 8.989289702469817 ], [ -1.2924412314041661e-16, 2.11071671, 1.4147907675301834 ] ]
[ [ 4.22143342, 0, 2.5848824628083323e-16 ], [ -2.5848824628083323e-16, 4.22143342, 2.5848824628083323e-16 ], [ 0, 0, 10.40408047 ] ]
[ 58, 58, 30, 30, 30, 30, 31, 14, 14, 14 ]
[ 1, 1, 1 ]
alex<agm004521307>
P-4m2
Ce-Ga-Si-Zn
0.046696
null
null
0.011895
2,274.28826
89.218819
[ [ 0.9823133724999998, 1.231652920338975, 7.53850850651629 ], [ 2.946940117499999, 5.215911821275803, 3.451158315314187 ], [ 0.9823133724999998, 1.1433309240671654, 2.68456261113877 ], [ 2.946940117499999, 5.127589825003994, -1.4027875800633336 ], [ 0.9823133724999997, 3.3931089099087974, 5.062300905608817 ], [ 2.9469401174999996, 2.9661338354341713, 1.0734200208441405 ], [ 2.9469401174999996, 1.9641557775559249, 5.08332643185728 ], [ 0.9823133724999997, 4.395086967787043, 1.0523944945956765 ], [ 0.9823133724999996, 5.291792722225479, 5.089184820752001 ], [ 2.9469401174999996, 1.0674500231174897, 1.0465361057009566 ] ]
[ [ 3.92925349, 0, 2.405973854783533e-16 ], [ -3.893913136542647e-16, 6.359242745342969, -2.076095353547044 ], [ 0, 0, 8.21181628 ] ]
[ 20, 20, 20, 20, 31, 31, 32, 32, 7, 7 ]
[ 1, 1, 1 ]
alex<agm002164279>
P2_1/m
Ca-Ga-Ge-N
0.014548
null
null
0.000048
1,681.538412
53.248459
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alex<agm004958196>
R3
Cl-Cs-In-Y
0.013288
null
null
0.000012
2,720.613251
8.841405
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alex<agm004804520>
R-3m
Au-Ca-Er-Pr
0.046461
null
null
0.000373
1,781.384352
69.655067
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alex<agm005006658>
Cmme
Au-Mn-S-Tl
0.042778
null
null
0.040949
3,244.46268
18.225351
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alex<agm004788549>
I222
Bi-Cs-Hg-S
0.053169
null
null
0.000043
3,928.763394
9.724234
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alex<agm005143527>
P4/mbm
Be-Ca-In-Pd
0
null
null
0.000263
6,279.395691
92.424286
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alex<agm001325118>
F-43m
Cd-Eu-Ga-Zn
0.067211
null
null
0.077744
2,187.630004
58.942478
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alex<agm005205912>
Amm2
La-Pt-Rh-Tb
0.019537
null
null
-0.000001
5,910.815432
101.963341
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alex<agm001391279>
F-43m
Al-Os-Re-W
0.045979
null
null
0.000011
5,386.162024
278.088715
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alex<agm001333700>
F-43m
Ni-Rh-Sc-Sn
0.038405
null
null
-0.00004
4,007.570619
145.372894
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[ 55, 55, 47, 51, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
mp-1112940
Fm-3m
Ag-Cl-Cs-Sb
0
1.6624
null
-0.000002
3,500.553605
15.900498
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alex<agm004598357>
C2/m
Ba-Bi-Cl-Pt
0.050351
null
null
0.002719
4,484.602503
25.425856