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-1378086
11.609571
13.111081
-1.916356
other
V4Zn4O12
20
62
202.9
mp-1208992
-5.40364
-4.285616
5.372811
other
Sm12Si12Pd12
36
62
705.62
mp-1211753
7.518285
7.096128
-4.521684
other
Mn4S8O48
60
62
871.21
mp-1095579
-8.289971
-4.436925
4.013271
other
Tm4Al4Pt4
12
62
227.23
mp-1200385
-4.394173
-3.10506
-3.633664
other
Eu12Sb16Se36
64
62
1,841.62
mp-1102897
-8.082723
-5.858765
3.428123
other
Eu4Zn4Pd4
12
62
253.62
mp-18137
10.66399
11.685496
-4.042562
other
Ta4V4O20
28
62
463.26
mp-1208331
-6.741011
-3.336899
0.989882
other
Tb4Sb4Ir4
12
62
255.36
mp-1102179
-7.843395
-4.611905
3.551542
other
Tm4Ni4Sn4
12
62
233.99
mp-1204351
3.130945
3.104532
-3.945844
other
Fe4N12Cl20
36
62
1,129.66
mp-1106158
-8.388122
-4.954512
2.969274
other
Dy4Ge4Pd8
16
62
290.4
mp-4320
10.097073
9.574871
-2.130335
other
Cu8Te8O24
40
62
595.15
mp-1105784
-6.649228
-4.232049
4.23293
other
Dy4Si4Pd8
16
62
279.4
mp-1095513
-7.85834
-6.714079
2.842442
other
Sr4Cd4Au4
12
62
314.47
mp-1102525
-5.914502
-2.645279
5.668947
other
Sc4Si4Ru4
12
62
192.1
mp-1232059
-4.347493
-4.20425
-3.838319
other
Sm8Mg4Se16
28
62
845.83
mp-723021
10.711513
3.895848
-3.348338
other
Ba20H40O40
100
62
1,389.39
mp-5186
-7.927277
-4.028198
3.566286
other
Sc4Ni4Sn4
12
62
212.36
mp-20121
-5.751784
-1.953477
5.197884
other
U4Fe4Si4
12
62
195.99
mp-1246849
0.733885
2.100063
2.200558
other
Zr4Fe4N8
16
62
199.87
mp-5970
-4.164869
-1.691034
-5.661529
other
Ba4Cu8S8
20
62
388.01
mp-776984
9.94567
8.39146
2.169497
other
Ho4In4O12
20
62
265.14
mp-572702
8.914224
0.619957
1.476185
other
Cs12Al12F48
72
62
1,248.07
mp-770806
10.248281
9.685942
3.194394
other
Sm8Ti4O20
32
62
457.1
mp-610491
-4.071686
-2.34611
-4.212556
other
Bi4Se4Cl4
12
62
339.95
mp-608516
1.521377
2.530602
-5.713896
other
Cs4Ga4Cl16
24
62
794.72
mp-505282
-7.816646
-3.617045
4.564876
other
Ce4Ge4Rh4
12
62
238
mp-567714
-0.467235
1.497164
-4.752747
other
Rb8Ag4Br12
24
62
846.46
mp-1213519
7.844251
7.819249
-4.0459
other
Cu12Se4O32
48
62
645.9
mp-4350
9.541986
6.828825
-3.61871
other
La8Se12O36
56
62
859.43
mp-11084
-8.082611
-6.536894
2.96515
other
Eu4Cd4Au4
12
62
299.81
mp-1192674
-4.233404
-4.243685
-3.724304
other
Ba4Lu8Se16
28
62
779.54
mp-1239191
-5.333885
-0.270193
-5.688797
other
Cs4Cr8S16
28
62
576.53
mp-726806
7.737927
7.091693
-4.605325
other
S4N8O16
28
62
504.34
mp-776235
1.938622
1.783739
2.805566
other
Zr8N8O4
20
62
241.07
mp-1194332
-3.811507
-1.973376
-5.126003
other
Yb4Bi8S16
28
62
682.49
mp-1207917
-2.840713
0.372776
2.582822
other
U4Ru4C8
16
62
196.98
mp-1245463
1.659845
1.769255
1.207103
other
Na4Sr4N4
12
62
240.16
mp-753993
10.625463
11.566595
-3.851854
other
Nb4V4O20
28
62
472.5
mp-752428
7.26897
8.504721
-0.738459
other
Rb8Pr4O12
24
62
561.75
mp-637256
4.641889
2.243599
-3.042661
other
K4C8N12
24
62
439.55
mp-1196235
-3.885737
-4.064353
-3.349224
other
Sm8U4Se20
32
62
815.04
mp-1209655
8.051688
1.025533
1.268488
other
Rb8Bi4F20
32
62
650.16
mp-1245807
1.678743
1.712072
0.974842
other
Ba4Na4N4
12
62
278.87
mp-1102787
-5.407794
-3.173237
5.904734
other
Lu4Co4Si4
12
62
191.21
mp-645543
-7.831044
-4.17476
3.534019
other
Pr12Ge24Pt16
52
62
1,036.67
mp-1232066
-4.282271
-4.192861
-3.844048
other
Dy8Mg4Se16
28
62
745.4
mp-1210697
-4.73814
-5.471469
0.633998
other
Na4Sr16As16
36
62
1,037.82
mp-17789
7.532229
9.960541
-1.140537
other
K8Ru4O16
28
62
506.35
mp-571146
-1.099224
2.332624
-3.478092
other
Sn4I4Cl4
12
62
404.22
mp-1181857
5.559007
-0.203256
-2.931678
other
Ca4B8H8
20
62
198.51
mp-1198001
-2.734497
-2.610253
-5.542778
other
Dy8Hf4S20
32
62
642.41
mp-777559
10.137081
0.488053
0.325535
other
Li4Fe4F16
24
62
304.66
mp-16904
-5.847282
-3.935591
-1.695029
other
Ba8Cd4Te12
24
62
935.11
mp-1209177
7.195467
9.392119
-1.194738
other
Rb4Tl12O20
36
62
607.07
mp-1102702
-7.402427
-2.387787
3.51362
other
Hf4Ni4Ge4
12
62
180.82
mp-1102762
-3.041874
-3.676616
-4.587949
other
Sm4As4S4
12
62
263.85
mp-697575
3.293493
-0.590842
-2.587976
other
Rb8Zn4H16
28
62
516.86
mp-687081
5.901198
11.531655
-1.318678
other
Yb4Co4O12
20
62
206.56
mp-1214962
8.555772
1.274437
1.959659
other
Ba8Lu16F64
88
62
1,243.63
mp-1102669
-8.327127
-4.44883
4.097384
other
Er4Ga4Pt4
12
62
227.45
mp-1188085
-6.455512
-3.810716
3.992135
other
Dy4Si4Pt8
16
62
278.38
mp-17597
-2.624372
-2.703951
-5.639321
other
Ca4Sc8S16
28
62
583.72
mp-1103320
-8.059328
-3.18907
4.742629
other
Pr4Ge4Ir4
12
62
241.49
mp-1213267
-6.831841
-4.392284
5.503546
other
Dy8Al4Ge12
24
62
510.3
mp-647385
10.62012
11.154361
-2.730603
other
V16Pb32O72
120
62
2,075.18
mp-777901
9.959802
2.118795
1.69645
other
Li8V4F20
32
62
398.72
mp-625242
10.482924
6.359976
-3.888087
other
Fe4H4O8
16
62
144.21
mp-1211682
8.803494
1.701885
1.713124
other
K4Np8F36
48
62
684.77
mp-1102417
-7.974956
-4.128758
4.675337
other
Ce4Ga4Rh4
12
62
238.5
mp-3822
8.607359
3.565861
-6.957133
other
Sr4C4O12
20
62
258.45
mp-18994
6.604538
9.553425
-2.23403
other
Cs4Mn4O16
24
62
458.35
mp-4571
10.277006
9.801353
3.87102
original
Ca4Zr4O12
20
62
258.73
mp-1208681
-5.56508
-5.38841
0.679292
other
Sr4Mn4Sb8
16
62
454.79
mp-1232142
-2.696915
-2.584018
-5.806227
other
Dy8Mg4S16
28
62
662.68
mp-1212189
-5.63199
-0.947301
2.148922
other
Hf4Mn4P4
12
62
171.17
mp-623261
-7.943772
-4.288852
5.805824
other
Pr4Ga4Co4
12
62
270.06
mp-776816
10.15224
0.433466
0.319601
other
Li8Fe4F20
32
62
352.59
mp-1101828
-3.048882
-3.708815
-4.509529
other
Tb4As4S4
12
62
254.44
mp-3457
13.218439
6.428379
-6.754439
other
Er4P20O56
80
62
970.18
mp-569414
-7.859251
-6.375994
6.407349
other
Lu24Ag4Te8
36
62
955.79
mp-1193887
11.503301
13.081552
-0.230161
other
Be4Cr8O16
28
62
254.4
mp-754140
9.570277
6.853672
-3.525271
other
Ca4Se4O12
20
62
288.97
mp-21455
7.346906
8.594028
-1.233051
other
Eu4Al4O12
20
62
214.61
mp-19522
11.939852
8.741662
-5.681552
other
P8W8O44
60
62
790.53
mp-5226
9.11866
6.873971
-3.54829
other
K8Se4O16
28
62
473.5
mp-1247496
-0.097769
2.265454
1.055825
other
Mn16Te12N8
36
62
667.22
mp-756452
9.970493
8.356388
3.19979
other
Sm4Dy4O12
20
62
298.02
mp-505351
-4.588108
-1.106799
-5.218144
other
Na12Fe8S16
36
62
748.5
mp-1004373
8.08359
17.381956
-0.046098
other
Li4Mn4O8
16
62
144.77
mp-1212628
-8.209065
-2.698189
5.476611
other
Ho12Ga60Ru16
88
62
1,515.18
mp-20846
-8.157729
-4.956458
4.111319
other
Ca8In16Ir8
32
62
720.67
mp-18101
-3.922941
-1.645996
-5.563482
other
K8Cd12S16
36
62
954.79
mp-20882
13.908468
6.320822
-1.355848
other
Ce4B4O12
20
62
240.94
mp-1190095
-6.35804
-3.787853
3.996769
other
Ho4Si4Pt8
16
62
275.96
mp-1237219
3.538118
3.145254
-3.527084
other
Al4I12N28
44
62
771.16
mp-20547
8.120971
13.18292
-0.684467
other
Ca4Fe8O16
28
62
299.89
mp-770210
9.780755
8.537444
3.218205
other
Ca4Y8O16
28
62
399.27
mp-583193
-4.441765
-2.864495
-3.471165
other
Cs12P4Se16
32
62
1,225.74
mp-30057
4.212743
2.28999
-3.092821
other
Li4C4N4
12
62
217.05