mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-674420
5.947883
12.775472
-1.618645
other
Li8Ni4O12
24
15
188.16
mp-505270
11.475544
4.165992
-7.887711
other
Ti4S4O20
28
15
333.97
mp-9664
-3.544728
-4.446031
0.824517
other
K6B2P4
12
15
348.76
mp-1246574
1.109017
2.190359
1.703503
other
Sr8Mo4N12
24
15
414.7
mp-1180547
3.401284
-0.702104
-2.405568
other
Li2Al2H8
12
15
108.36
mp-752521
5.39063
9.975097
-2.364341
other
Li4Fe4O12
20
15
204.42
mp-680048
-1.606984
2.71669
-4.970778
other
Rb4W12Br28
44
15
1,456.56
mp-669345
1.957193
2.695117
-4.492732
other
Ta4Te4Cl36
44
15
1,305.66
mp-1247455
1.674505
1.802025
1.024887
other
Sr10Pb4N12
26
15
547
mp-1238430
4.642461
2.25336
-3.05829
other
Rb8C16N24
48
15
932.34
mp-1189627
-4.206677
-3.855771
-3.422581
other
Th4Fe2Se10
16
15
395.4
mp-1207401
7.534569
7.656708
-4.026596
other
Zn2Se2O10
14
15
193.56
mp-989612
0.965386
2.596253
1.683532
other
La4Cr4N12
20
15
297.16
mp-1188117
10.76991
10.906568
0.323785
other
Rb4Mn6O8
18
15
302.87
mp-778222
11.794958
10.802431
0.041754
other
Na12V4O12
28
15
414.69
mp-1246169
1.299513
2.137902
1.452963
other
Ca6Ni4N8
18
15
236.39
mp-30542
-4.788485
-1.784277
1.109404
other
Ni8P32W2
42
15
614.19
mp-559289
10.623765
10.584369
3.323997
other
Y2Ta2O8
12
15
147.37
mp-881150
7.615408
8.738868
-2.01241
other
Yb4Ti2O10
16
15
214.2
mp-542833
13.713501
4.783754
-2.333272
other
Zn12B8O24
44
15
515.31
mp-771306
13.421067
5.695803
-6.907364
other
Dy4P8O26
38
15
507.9
mp-1246907
1.342883
1.968694
1.46366
other
Sr6Co4N8
18
15
267.88
mp-26916
12.911408
8.239541
-7.313264
other
V2P8O24
34
15
434.72
mp-555117
9.334251
8.607041
-0.371676
other
Cs16Bi32O56
104
15
2,228.42
mp-1210242
6.801877
8.631137
-1.660032
other
Na10Tb2O12
24
15
342.05
mp-1198746
-3.242677
-0.437353
-4.713801
other
Na4Nb4S24
32
15
879.24
mp-997102
7.165261
9.478509
-1.480242
other
K2Ag2O4
8
15
157.19
mp-556176
8.956093
1.308196
1.169628
other
Li4Zr2F12
18
15
194.06
mp-561441
11.672314
7.497243
0.535866
other
Y8Ge4O20
32
15
452.69
mp-756500
-1.194952
2.00424
-1.873127
other
Sr4Ca2I12
18
15
835.79
mp-1195213
9.864015
4.682778
-6.741673
other
Bi4S6O24
34
15
475.15
mp-867790
7.930889
10.249864
1.167689
other
Ba10Ru4O22
36
15
581.8
mp-1341686
10.688725
8.072633
-2.728986
other
Cr2Ge4O12
18
15
228.25
mp-758054
8.575262
1.175556
-0.414614
other
Li2Ag2F8
12
15
176.02
mp-1246362
1.994979
2.028239
1.349652
other
Ca6Sb4N8
18
15
337.29
mp-1196818
7.262456
6.570543
-3.258075
other
Ca4I8O26
38
15
685.88
mp-769252
10.480059
10.6278
3.40628
other
Sr6Ta4O16
26
15
420.6
mp-1045314
9.608714
1.637729
1.636359
other
Mg2Cr2F8
12
15
147.77
mp-1246708
1.329539
1.884229
1.498707
other
Sr10Ir4N12
26
15
479.67
mp-25238
11.17914
7.552354
-2.333487
other
Cr2Si4O12
18
15
210.57
mp-28011
-3.572747
-1.798185
-5.661607
other
Tl4Sn4S6
14
15
399.81
mp-1211547
9.709157
8.491922
2.584117
other
K8Th4O12
24
15
446.2
mp-23477
8.742105
10.679729
0.110025
other
Mn4Bi4O12
20
15
258.59
mp-755678
-1.220402
1.830094
-1.866316
other
Ca2La4I16
22
15
1,131.95
mp-1019515
2.047671
1.894496
1.512644
other
Ba12Ga12N20
44
15
792.33
mp-777883
1.024502
1.669606
-5.17336
other
Ba24Y4Cl60
88
15
3,649.85
mp-766151
13.854646
8.059726
-5.688278
other
P8W2O24
34
15
482.79
mp-752423
10.846918
11.828547
2.291905
other
Na8Ti4O12
24
15
260.69
mp-19721
10.446325
10.79503
3.198089
other
Gd2Nb2O8
12
15
153.8
mp-541826
-0.408288
1.057897
-4.058455
other
Ti2Al4Br16
22
15
815.4
mp-571046
2.007659
1.83799
1.409793
other
Sr10Ge4N12
26
15
456.54
mp-567583
1.945462
2.755027
-5.208632
other
Cs2Sb2Cl12
16
15
494.07
mp-1197960
9.880068
4.869137
-6.490859
other
Bi24S24O108
156
15
2,288.45
mp-1412039
9.167934
1.870016
1.448112
other
Ti2Zn2F10
14
15
189.69
mp-553913
13.550531
8.230201
-6.146186
other
Fe4P2O10
16
15
185.52
mp-542188
-5.43659
0.724575
-4.550034
other
Cr4Mo8S16
28
15
468.63
mp-1044794
12.220041
6.602564
-5.397504
other
Bi8P8O32
48
15
871.96
mp-1193841
9.091731
5.40962
-6.289065
other
Rb6S4O16
26
15
433.01
mp-1193554
9.259011
7.122276
-3.425074
other
Bi4Se6O20
30
15
444.17
mp-1190822
-4.564314
-4.232864
5.871669
other
Ba2Si18Rh4
24
15
423.46
mp-772055
9.674792
12.568781
0.927527
other
Li12Ti4O14
30
15
268.79
mp-1194553
9.669946
7.544384
-3.398248
other
Hg20Se8O32
60
15
1,124.07
mp-1192977
7.723223
9.51915
-3.70083
other
Cr4Hg4O18
26
15
419.19
mp-726134
6.730413
6.235681
-3.549222
other
Ba2Br4O14
20
15
359.7
mp-2931
9.655602
12.80899
0.957525
other
Li8Ti4O12
24
15
210.5
mp-1193835
1.698964
2.953697
-4.602801
other
Co2W4Cl20
26
15
619.3
mp-755251
10.050356
9.185105
3.574949
other
Gd4Hf2O10
16
15
236.36
mp-540788
11.087192
10.834942
-3.902763
other
K4Mo6O20
30
15
484.29
mp-540759
1.899403
2.420098
-5.009058
other
Al4Co2Cl16
22
15
587.77
mp-1253889
11.039258
13.055134
-0.077259
other
Al2Cr4O8
14
15
149.72
mp-17701
1.631249
1.816757
1.674253
other
Sr8Nb4N12
24
15
429.53
mp-5121
10.481949
9.255691
-1.941349
other
Nd4Te8O22
34
15
521.46
mp-554357
10.007725
8.843808
-2.262978
other
Ag16Te4O20
40
15
547.15
mp-675115
8.042734
12.955178
-1.472078
other
Co14Ru4O24
42
15
424.04
mp-31027
-5.439549
-2.469568
5.326798
other
Sc12Re8Si16
36
15
585.3
mp-1210877
12.124424
12.170923
-0.028348
other
Li8Tc4O12
24
15
211.53
mp-25940
10.017535
7.680789
-5.98117
other
Bi4P8O28
40
15
599.45
mp-771881
11.236805
11.259255
-2.66097
other
Tm4W6O24
34
15
466.97
mp-1188344
1.273339
2.624409
-5.935103
other
Cs4Li4Cl8
16
15
479.2
mp-1078362
-7.928899
-4.722661
3.467033
other
Ca4Al2Pt4
10
15
213.9
mp-756244
9.839182
8.797846
2.069007
other
Ca2Eu4O6
12
15
189.59
mp-773016
13.518407
5.73585
-6.906671
other
Lu4P8O26
38
15
492.95
mp-23018
9.792417
9.727228
-0.558136
other
Bi2Sb2O8
12
15
156.65
mp-22984
9.539346
8.623418
-0.270705
other
Na2Bi2O4
8
15
122.28
mp-1214844
1.628931
2.269073
-3.487122
other
Au6Br16N6
28
15
1,042.4
mp-2356866
8.592923
7.123411
-3.721772
other
Pd2Se2O8
12
15
200.71
mp-555769
10.235176
8.602481
1.283381
other
Sc4Bi4O12
20
15
282.2
mp-28374
4.978598
3.06677
-3.957525
other
S10N10Cl2
22
15
456.83
mp-1302545
6.475644
14.303711
-1.821277
other
Li6Co8O16
30
15
279.46
mp-18421
-3.289126
-1.600214
-5.608591
other
Ba8Ga8S20
36
15
958.56
mp-771342
13.361617
5.741153
-6.869144
other
Gd4P8O26
38
15
522.14
mp-31123
10.51452
10.676001
0.382754
other
Tm8Mo4O24
36
15
438.53
mp-1189461
-7.86461
-2.459595
5.324985
other
Ho4Co6Ge10
20
15
325.17
mp-758657
10.129704
0.473994
-0.035516
other
Li4Mn2F12
18
15
254.6
mp-754049
8.771205
12.302608
-1.190708
other
Co8Ru4O16
28
15
312.25
mp-25240
9.247247
8.043797
-2.875738
other
Fe2Si4O12
18
15
216.72
mp-1304367
8.933239
12.588346
-1.38762
other
Co10Sb2O16
28
15
318.86
mp-754608
13.740415
9.129326
-1.208749
other
V4Si4O12
20
15
211.81
mp-18855
10.287649
9.435832
-2.027006
other
Co4Te6O16
26
15
374.28
mp-1182360
8.354373
5.028899
-3.876343
other
Ba2H8O12
22
15
226.46