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-755740
9.979506
8.281028
3.301379
other
Tb4Ho4O12
20
62
285.78
mp-1214411
-3.037985
-2.374468
-4.342882
other
Ba4U8S20
32
62
763.29
mp-1194224
-4.170877
-4.346587
-3.77404
other
Yb4Ho8Se16
28
62
750.83
mp-755612
10.772434
8.225243
1.572573
other
Dy4Ga4O12
20
62
226.91
mp-1247749
-0.466358
1.20573
-4.76903
other
Cs4Sn4Br12
20
62
783.02
mp-1095532
-6.51147
-1.142144
3.505417
other
V4Si4Ni4
12
62
144.1
mp-1192459
-8.187824
-2.561104
3.743961
other
Tm4Ge8Rh16
28
62
429.64
mp-1102457
-8.320292
-4.371964
4.011926
other
Er4Al4Pt4
12
62
229.4
mp-1095419
-5.735881
-1.320009
2.595494
other
Ta4Cr4P4
12
62
161.64
mp-1095563
-6.004811
-2.998746
5.522685
other
Sc4Si4Ir4
12
62
191.59
mp-1209937
9.930079
8.388844
3.289595
other
Nd4Lu4O12
20
62
285.4
mp-20953
-2.743994
-2.709308
-5.248017
other
Ce4Sc4S12
20
62
450.19
mp-755576
1.855505
1.740761
2.808641
other
Zr8N8O4
20
62
232.03
mp-3031
12.912152
6.230925
-0.59891
other
Ba4Si8O20
32
62
486.96
mp-620346
-4.542595
-5.47211
0.737934
other
Ba12In4As12
28
62
963.34
mp-769468
8.781629
13.035244
-0.926179
other
Rb4Fe12O20
36
62
463.23
mp-1204466
2.637543
2.934235
-4.000572
other
Co4N12Cl20
36
62
1,114.76
mp-27805
-3.036559
-1.699323
-5.5442
other
Ba12Si4S20
36
62
997.32
mp-1190998
-2.651352
-2.980282
-4.377897
other
Pr8P8S8
24
62
541.73
mp-1103162
-5.847699
-3.769076
4.436583
other
Ti4Si4Pd4
12
62
176.67
mp-1198401
8.057019
2.417101
-1.032788
other
Th4N12F28
44
62
767.4
mp-1192539
5.009391
3.225137
-3.920372
other
Te4S12N8
24
62
662.5
mp-1215815
-2.86189
-2.536477
-5.530956
other
Yb4Gd4S12
20
62
442.56
mp-1184737
-2.725974
0.45493
2.504527
other
Ho8Re4C8
20
62
325.34
mp-645690
-4.121835
-4.302085
-3.811498
other
Eu4Dy8Se16
28
62
763.68
mp-1208576
-6.128465
-1.568676
2.657825
other
Ta4Co4As4
12
62
165.7
mp-569531
-0.33283
1.549146
-4.69925
other
Rb8Cu4Br12
24
62
792.09
mp-20186
10.01164
10.670025
1.287203
other
Pr4Ru4O12
20
62
252.95
mp-608490
1.312778
2.300713
-5.4735
other
Na4Hg4Cl12
20
62
573.54
mp-729062
12.203695
6.878063
-0.92311
other
Mg28Si32O96
156
62
1,834.76
mp-20244
-3.525955
-1.358258
-5.427484
other
Zr4Pb4S12
20
62
490.54
mp-21131
-5.758916
-4.980861
0.723917
other
Ca4Mn4Sb8
16
62
404.34
mp-3872
-4.287306
-1.226913
-6.065517
other
Mg4Al8S16
28
62
536.98
mp-1246936
0.843887
1.936096
2.333914
other
Hf4Mn4N8
16
62
202.86
mp-5803
14.335496
5.230505
-7.550132
other
Nb4P4O20
28
62
416.21
mp-1209979
9.944972
9.837516
-1.794403
other
Ni4Te4O12
20
62
251.41
mp-4112
9.975624
4.994968
-5.982913
other
Tl8S4O16
28
62
485.32
mp-12262
8.695405
0.781583
1.535692
other
Cs4Be4F12
20
62
364.07
mp-1213617
1.079353
1.811687
-5.412744
other
Cs8Pr16Cl56
80
62
2,537.04
mp-1102080
-5.87501
-3.891859
4.822735
other
Sc4Si4Pd4
12
62
198.96
mp-1105437
7.97047
11.34044
0.900989
other
Sm4Fe4O12
20
62
323.96
mp-1102033
-3.76491
-4.299125
-3.794277
other
Er4As4Se4
12
62
264.73
mp-1212780
1.579537
2.447693
-3.778208
other
Eu4Br8O4
16
62
409.05
mp-766284
7.334795
10.808717
0.557697
other
Sr16Ru12O48
76
62
1,001.2
mp-1197522
-7.701965
-4.770379
3.242968
other
Tm12Ni12Sn24
48
62
1,028.55
mp-755416
10.918489
8.158999
1.583716
other
Ho4Ga4O12
20
62
225.61
mp-13378
-8.530861
-4.488883
5.396684
other
Tb4Zn4Rh4
12
62
224.36
mp-1188229
-6.034294
-6.567842
1.947994
other
Bi4P4Pb8
16
62
505.52
mp-12504
-8.115139
-4.66333
3.722429
other
Ce4Zn4Pt4
12
62
247.63
mp-28135
8.372313
2.246561
-0.792339
other
Nb4Xe4F44
52
62
868.56
mp-1208629
-4.891268
-6.073352
0.852267
other
Sr20Sb8As4
32
62
1,145.72
mp-554518
8.89463
3.575427
-7.273656
other
Eu4C4O12
20
62
255.55
mp-1213440
2.609781
2.762889
-3.927836
other
Cu4Br12N8
24
62
545.87
mp-1178550
11.797688
8.14567
-0.078362
other
Al4In4O12
20
62
202.93
mp-1232177
-4.338414
-4.219146
-3.842189
other
Ho8Mg4Se16
28
62
791.22
mp-1192734
-4.289084
-4.09255
-3.870587
other
Tm8Pb4Se16
28
62
770.75
mp-510595
-7.502147
-5.979772
5.419329
other
Er20Co4Sb8
32
62
816.19
mp-510152
-7.846838
-4.68109
3.621774
other
Dy4Ni4Sn4
12
62
240.91
mp-1103307
-7.294062
-5.707234
2.855618
other
Ca4Pt4Pb4
12
62
292.8
mp-1196894
-5.985741
-0.459352
1.425158
other
Tb4Co20P12
36
62
440.45
mp-770566
7.917232
13.41332
-1.101409
other
Be4Fe8O16
28
62
274.69
mp-1232183
-4.251988
-4.258451
-3.887689
other
Pr8Mg4Se16
28
62
886.12
mp-1214408
13.207351
8.041451
-7.308759
other
Cr16P24O84
124
62
1,574.16
mp-1195740
-6.031233
-0.45895
1.447349
other
Er4Co20P12
36
62
427.61
mp-1105554
-2.701922
0.492834
2.588482
other
Tm8Re4C8
20
62
319.31
mp-22414
9.270576
7.365122
-3.546359
other
Cu4Se4O12
20
62
246.17
mp-1219329
-7.352317
-1.896654
5.860537
other
Sm4Mn4Ge4
12
62
244.85
mp-1207675
-5.860091
-3.196688
5.778927
other
Tm4Si4Ir4
12
62
207.79
mp-777295
10.389107
10.919362
1.989341
other
Tm4Cr4O12
20
62
213.01
mp-1350656
6.982891
12.240547
1.048555
other
Y8Mn12O36
56
62
635.96
mp-1211260
8.377369
1.116834
1.985954
other
K4La4F16
24
62
376.4
mp-755911
1.628304
1.773305
2.947714
other
Hf8N8O4
20
62
221.07
mp-1202693
-3.248619
-3.801603
-3.409384
other
Ce16Se12N8
36
62
873.5
mp-1191263
-8.362082
-5.049911
3.106603
other
Ce4In8Pd12
24
62
479.43
mp-607514
-8.530653
-6.258129
2.972121
other
Pr4In16Au8
28
62
674.3
mp-1232074
-4.672235
-3.500106
-3.787704
other
Eu8Mg4Se16
28
62
802.76
mp-989630
0.81055
2.614535
1.863443
other
La4W4N12
20
62
257.59
mp-1207625
9.424047
8.712882
2.608816
other
Yb4Ce4O12
20
62
288.35
mp-1180433
7.988482
11.102174
1.152158
other
Nd4Fe4O12
20
62
286.97
mp-1102532
-6.931956
-2.148937
3.66428
other
Nb4Ge4Rh4
12
62
185.81
mp-1208317
-8.091089
-5.699092
4.952793
other
Tb4Ga8Ag4
16
62
305.89
mp-705271
-6.014983
-1.295839
0.90683
other
Eu4Ni40P24
68
62
901.91
mp-1232307
-4.266615
-4.191364
-3.871854
other
Y8Mg4Se16
28
62
760.56
mp-770731
11.971306
9.730121
2.721405
other
Li4Zr8O16
28
62
342.68
mp-21316
-6.291131
-1.989199
4.51059
other
Ta4Si4Ir4
12
62
176.65
mp-22055
8.110843
11.829644
2.027026
other
Tb4Mn4O12
20
62
224.78
mp-22310
-2.956614
0.515784
2.495001
other
U4Cr4C8
16
62
203.33
mp-17980
-4.159756
-0.685868
-4.817854
other
K8Mo4S16
28
62
795.22
mp-1246305
4.35793
2.438297
-3.327671
other
Ni4C8N8
20
62
255.98
mp-31468
1.711293
1.824855
1.232528
other
Li4Ca4N4
12
62
170.88
mp-1096809
-4.294382
-1.325833
-6.054611
other
Al8Zn4S16
28
62
532.49
mp-30949
-5.32018
-6.559276
3.557378
other
Sr12Si4O4
20
62
515.31
mp-759752
10.239725
2.808036
1.627517
other
Li4V8F28
40
62
472.25
mp-5473
-4.01509
-5.434596
5.300773
other
Ca4Mg4Si4
12
62
273.15
mp-754897
7.096136
9.088863
-0.543171
other
Ba4Tl8O16
28
62
437.5
mp-19935
8.097715
11.36513
1.450996
other
Er4Fe4O12
20
62
222.01
mp-1337169
9.992017
9.769947
0.063062
other
Zn4Sn4O12
20
62
231.03
mp-818575
7.160367
6.706193
-4.288867
other
Mn4S4O24
32
62
627.74
mp-1100366
-3.42999
-1.565485
-5.649462
other
Ca4Sn8S20
32
62
980.46
mp-1094086
11.979507
10.023914
2.398835
other
Sr8Ti8O20
36
62
502.94