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-860956
9.637894
8.689383
0.00805
other
Rb16Sb8O20
44
62
1,026.46
mp-558238
8.4952
1.139777
1.937006
other
K8Er16F56
80
62
1,176.39
mp-13459
-5.436554
-5.964252
0.5942
original
Na4Cd4Sb4
12
62
323.93
mp-1245556
1.667835
2.254016
0.769091
other
K4Cu4N4
12
62
232.03
mp-8347
-3.568526
-1.745081
-5.234037
other
Ba4Mn4S8
16
62
419.68
mp-504357
14.569377
8.127333
-5.825921
other
Cr16P12O48
76
62
965.66
mp-19063
10.49329
10.88263
1.966061
other
Er4Cr4O12
20
62
214.93
mp-1189517
-7.007205
0.566435
3.269952
other
Fe8Ni4C4
16
62
150.92
mp-704327
8.646431
14.217874
-1.011336
other
Mn56Pb24O120
200
62
2,544.87
mp-22284
-7.626907
-5.171947
3.246288
other
Sr4In4Pt4
12
62
295.12
mp-1246888
1.547178
1.840018
1.34291
other
Sr16Mn4N16
36
62
715.92
mp-1095371
-5.622049
-5.712548
0.826351
other
Li4Yb4Sb4
12
62
295.03
mp-30528
1.521498
2.560347
-5.566365
other
Mn4Tl4Cl12
20
62
499.52
mp-19381
10.240571
10.9522
2.001104
other
Dy4Cr4O12
20
62
218.54
mp-1203735
-4.521358
-3.092725
-3.323078
other
Sm12Sb16Se36
64
62
1,701.13
mp-1190096
-3.035505
0.580641
2.64414
other
Tb4W4C8
16
62
209.98
mp-505137
-5.452693
-2.155031
-1.596485
other
Nb12Si4Te24
40
62
1,116.08
mp-1047184
10.773895
9.271749
0.550431
other
Ca4Sn8O16
28
62
407.04
mp-1204916
9.251574
0.48974
0.789588
other
K8Fe4F20
32
62
473.46
mp-1232296
-4.269245
-4.26079
-3.88005
other
Ho8Mg4Se16
28
62
755.95
mp-1202287
8.093553
2.360806
-1.056113
other
Mn4N8F20
32
62
528.5
mp-989647
0.949288
2.300834
1.910297
other
Y4Re4N12
20
62
231.49
mp-1193815
-2.676207
-2.621771
-5.913478
other
Ho8Pb4S16
28
62
683.11
mp-1210340
6.746263
10.53154
-1.552563
other
Na12Mn4O16
32
62
467.28
mp-27147
-0.475789
1.279809
-4.578758
other
Rb24Bi8Br48
80
62
3,233.43
mp-849271
7.555409
6.634414
-3.075323
other
Ag4I4O12
20
62
331.98
mp-1105819
8.932411
11.3861
-0.610288
original
In4Rh4O12
20
62
231.01
mp-756708
7.159381
8.486248
-0.739534
other
Ca4Pr4O12
20
62
326.02
mp-619279
-3.715435
-1.569122
-5.727171
other
In8Pb4S16
28
62
648.81
mp-1198669
-5.71332
-3.874046
-1.446368
other
La12Te16Br4
32
62
1,052.32
mp-28696
6.021074
10.412148
-1.34505
other
K12Fe4O16
32
62
535.58
mp-1208040
-7.656986
-2.875766
4.275331
other
U4Co8Sn4
16
62
265.57
mp-1095253
-7.928773
-3.989263
3.606383
other
Sc4Ge4Pt4
12
62
208.78
mp-1095599
-7.867252
-2.700665
5.4585
other
Ho4Co4Ge4
12
62
204.09
mp-755569
6.435339
12.539658
-1.36325
other
Co4Pb4O12
20
62
218.68
mp-1246576
1.510444
1.954626
1.378431
other
Ca16Ir4N16
36
62
617.87
mp-1102327
-8.273062
-4.456471
4.015347
other
Lu4Ga4Pt4
12
62
221.82
mp-1103046
-7.771997
-5.414469
3.252702
other
Ca4Cd4Pt4
12
62
266.62
mp-755165
10.296064
8.560016
3.264606
other
Y4Sc4O12
20
62
251.95
mp-756127
11.033305
12.061017
2.894281
other
Ta4Nb4O20
28
62
522.48
mp-1102382
-4.960883
-2.736313
-3.894525
other
Cu4As4Se4
12
62
257.17
mp-1095473
6.915341
7.40188
-2.89732
other
Pb4Cl4O4
12
62
248.87
mp-17520
9.804521
10.432367
0.992196
other
Ba8Cr4O16
28
62
479.53
mp-770401
13.331992
7.263567
-5.669485
other
Sb4P4O16
24
62
346.88
mp-1199666
-5.372869
-2.670257
4.485172
other
Ti32Si32Ni8
72
62
1,018.69
mp-29411
-2.838014
-0.752104
-5.388318
other
Na8B8S20
36
62
770.46
mp-760908
11.216541
12.550211
-3.358765
other
Na4V8O20
32
62
417.61
mp-567601
1.839206
1.78151
1.29167
other
Sr16C4N16
36
62
677.37
mp-1200102
-7.097724
-6.525039
3.459733
other
Ca12Ag12Ge12
36
62
772.46
mp-1213025
-6.6691
-3.399105
0.903854
other
Er4Sb4Rh4
12
62
248.67
mp-1212046
1.159062
1.949567
-5.449373
other
K8Ho4Cl20
32
62
852.43
mp-26980
10.924599
8.252668
-8.010578
other
Mn4P4O16
24
62
274.76
mp-759821
10.848294
8.722325
-1.266454
other
Sb12O8F20
40
62
696.93
mp-542611
5.338543
2.687878
-3.817054
other
Tl8S28N32
68
62
1,378.7
mp-22546
-6.926856
-1.586221
1.907799
original
Co4As4Rh4
12
62
158.99
mp-1106002
-4.344199
1.455009
3.11716
other
Pu4Re4B8
16
62
201
mp-1102079
-3.315063
-3.871828
-4.354077
other
Tm4As4S4
12
62
239.25
mp-1211046
-7.78083
-2.049831
3.41348
other
Mn4Ge4Ir4
12
62
182.63
mp-20226
-7.671979
-3.216626
4.216048
other
U4Ge4Ir4
12
62
228.29
mp-638813
-2.717222
-2.794731
-5.178393
other
Ce12Er12S36
60
62
1,377.63
mp-865201
-8.876263
-1.749783
2.820701
other
Lu4Ni20Sn4
28
62
381.55
mp-23416
1.500528
2.329288
-5.426859
other
Li8Zn4Cl16
28
62
564.49
mp-616141
-4.478515
-5.620207
0.54954
other
Cs20Ge4As12
36
62
1,444.57
mp-4864
-6.029102
-6.868052
3.10188
other
Ca4Mg4Sn4
12
62
323.25
mp-1195178
-4.023393
-5.467422
5.199813
other
Ba20La4Si24
48
62
1,523.25
mp-1043835
10.772435
11.900075
2.428835
other
Ca4Ti12O28
44
62
630.7
mp-1047337
12.928473
10.634216
-0.072991
other
Mg4Mo8O16
28
62
332.96
mp-769033
11.740419
6.654715
-2.21774
other
Bi12B4O24
40
62
605.53
mp-1213002
9.957694
8.280476
3.122138
other
Eu4Ho8O16
28
62
406
mp-1106082
-4.657976
-4.56029
5.910379
other
Li4Ce4Si8
16
62
318.62
mp-1178941
8.248177
6.829188
-5.308069
other
Ti4S4O24
32
62
522.38
mp-3733
8.78383
1.150846
1.396816
other
Be4Tl8F16
28
62
457.68
mp-22390
7.90281
10.752067
1.011936
other
Sr4Ru4O12
20
62
243.42
mp-3032
8.744664
1.206247
0.331874
other
Rb4B4F16
24
62
358.24
mp-13472
-5.861085
-2.879355
5.416492
other
Hf4Si4Rh4
12
62
186.98
mp-510277
10.949438
7.867401
2.972728
other
Ce12S8O12
32
62
584.06
mp-1180012
3.622266
3.399513
-3.771326
other
Os4N20Cl12
36
62
790.99
mp-1188955
8.310399
2.429108
-1.323165
other
Be4N4F12
20
62
293.06
mp-1192775
8.080558
6.905503
-5.31144
other
Fe4S4O20
28
62
339.88
mp-1246091
1.433821
1.880399
1.354156
other
Ca16Mn4N16
36
62
599.43
mp-1238803
-5.478302
-0.151475
-5.701759
other
Li4Cr8S16
28
62
467.11
mp-769048
-3.606817
-0.840694
-5.463126
other
Li12Nb4S16
32
62
684.16
mp-768997
9.660548
8.610403
-0.350664
other
Li4Bi12O20
36
62
525.45
mp-1207880
-8.078876
-3.417585
3.929173
other
U4Sn4Rh8
16
62
305.43
mp-1368304
5.642864
11.802436
-0.687023
other
Ca4Co4O12
20
62
214.85
mp-1245987
1.042238
2.342911
1.616385
other
Cs4Mn4N4
12
62
290.63
mp-1238843
-5.548921
-0.164823
-5.812821
other
Na4Cr8S16
28
62
494.05
mp-773020
13.180754
6.485626
-6.80684
other
Lu4P20O56
80
62
1,002.17
mp-669388
-3.594005
-4.219561
-4.178133
other
Gd8Se8O4
20
62
454.28
mp-1209096
-5.667692
-4.789496
1.976256
other
Sc24Cu4Te8
36
62
822.94
mp-1342607
12.682529
11.445462
-1.017969
other
Mg4Mo4O12
20
62
223.94
mp-625420
12.385556
5.575543
-1.995641
other
Al4H4O8
16
62
133.09
mp-17410
-4.253608
-4.337201
-3.763669
other
Cs4Er12Se20
36
62
1,112.4
mp-772322
11.45043
8.102608
-8.106868
other
Mn12P16O56
84
62
1,177.51
mp-1372708
5.506689
10.959957
-1.795729
other
Mg4Fe4O12
20
62
186.3
mp-1208051
-5.029411
-4.165162
5.929595
other
Tm8Sc12Si16
36
62
717.48
mp-1095504
-7.440743
-4.011302
3.870593
original
Hf4Cu4Ge4
12
62
183.75
mp-1376216
12.9341
12.425047
-0.553507
other
Mg4V8O16
28
62
287.04
mp-1214460
2.82691
2.878486
-4.093376
other
Ce4N8Cl20
32
62
993.5
mp-1211208
12.015761
11.283092
-2.62421
other
Mg16Mo12O48
76
62
977.02