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-704231
11.424552
7.822227
-7.209513
other
Cr4P16O48
68
60
974
mp-28597
-6.048525
-3.57652
-2.138575
other
Na40In8Te32
80
60
2,729.53
mp-1203949
7.25073
6.981952
-3.717495
other
U4I16O60
80
60
1,366.21
mp-17151
11.820661
9.761727
1.47395
other
U4Cr4O16
24
60
292.32
mp-772342
10.475799
11.28112
-2.083947
other
Y8W8O36
52
60
702.16
mp-26998
10.07997
7.850827
-6.538632
other
Co4P16O48
68
60
998.22
mp-1245935
1.590583
1.792195
1.394902
other
Ca28Ru4N24
56
60
916.47
mp-1195232
5.467378
-0.445995
-3.094792
other
Eu4B8H32
44
60
429.1
mp-761183
10.767429
-0.128369
0.19022
other
Li4Mn4F16
24
60
247.65
mp-774233
7.600818
6.639329
-3.256619
other
Co4I8O24
36
60
547.73
mp-1199047
-4.790323
-1.619798
1.316022
other
Fe8P48W4
60
60
870.17
mp-1188411
7.649657
3.342949
-1.554986
other
Hg4O8F8
20
60
258.99
mp-1202133
6.490155
5.596178
-4.352829
other
U4N8O28
40
60
771.31
mp-5516
11.637122
11.333525
-2.636014
other
Sc8W12O48
68
60
1,318.87
mp-776023
12.615807
6.461754
-0.907308
other
Cd8Si8O24
40
60
529.98
mp-504549
11.583941
9.671599
1.147497
other
U4Fe4O16
24
60
307.14
mp-23522
1.256389
1.946745
-5.324182
other
Ba4Zn4Cl16
24
60
692.99
mp-3417
13.748947
4.365475
-2.086367
other
Ca4B8O16
28
60
308.09
mp-540079
9.826727
7.661624
-6.23336
other
Ni4P16O48
68
60
991.37
mp-647862
11.508629
11.224255
-3.848638
other
Cr8Mo12O48
68
60
1,083.37
mp-1194497
5.286339
-0.457309
-2.941005
other
Sm4B8H32
44
60
381.93
mp-1190687
1.274938
2.506312
-5.793154
other
Cs4Li8Cl12
24
60
622.28
mp-28874
-2.769007
-3.559123
0.086888
other
Hg8P12Br4
24
60
593.27
mp-1208801
12.162026
3.755088
-8.104231
other
Tb8S12O48
68
60
1,110.28
mp-777550
10.209926
0.4497
0.322485
other
Li4Fe4F16
24
60
280.27
mp-1245695
1.56437
1.756612
1.475516
other
Sr28Re4N24
56
60
1,158.76
mp-766480
-4.502247
-1.533169
-5.683325
other
Li24Cu24S24
72
60
1,367.7
mp-574367
-4.957498
-2.763505
-3.88865
other
Cu24As24Se24
72
60
1,589.06
mp-1210144
9.402234
0.650615
-0.47596
other
Na4Co4F16
24
60
313.19
mp-766317
-1.272814
1.916021
-1.627938
other
Ba8Ca4I24
36
60
1,858.95
mp-34475
11.236575
11.662968
2.36942
other
Ta8Mn4O24
36
60
419.03
mp-772403
12.413849
12.419124
-0.352646
other
Nb4V4O16
24
60
262.27
mp-768943
10.269634
4.440783
-7.219594
other
Sn8S12O48
68
60
1,050.89
mp-29782
10.695192
10.765196
-2.246423
other
Bi8W8O36
52
60
704.33
mp-704384
10.814776
10.766678
-4.03962
other
Eu8Mo20O72
100
60
1,797.26
mp-729474
9.789554
10.139554
-3.832303
other
Ba8Mo32O120
160
60
2,573.26
mp-772174
11.46269
11.24926
-2.829194
other
Ga8W12O48
68
60
1,161.57
mp-1246388
0.52403
2.322219
2.134314
other
Cr28Ge4N24
56
60
578.59
mp-756717
11.794194
9.195519
-2.503441
other
V4Ge4O16
24
60
225.34
mp-1197578
7.875913
7.737214
-4.016755
other
Ca8As8O40
56
60
844.12
mp-756487
9.57502
12.77051
-0.758697
other
Zr4Cr4O16
24
60
278.68
mp-752402
-1.252118
1.949003
-1.669525
other
Ba4Sr4I16
24
60
1,201.38
mp-17177
10.865062
11.895107
2.4135
other
Nb8Zn4O24
36
60
416.33
mp-1245383
1.553354
1.743887
1.418146
other
Ca28Os4N24
56
60
931.66
mp-556932
13.016331
6.340764
-5.997196
other
Tl24P24O72
120
60
2,032.67
mp-1245374
1.647055
1.629699
1.313936
other
Sr28S4N24
56
60
1,086.85
mp-556313
9.896428
12.522451
-3.8989
other
V8Cd4O24
36
60
418.49
mp-1198781
7.778207
6.474799
-4.311323
other
Ca8As8O40
56
60
867.75
mp-26114
13.353165
6.531974
-6.944434
other
Ti4P16O48
68
60
1,007.36
mp-772049
10.480348
11.997534
2.02229
other
Li8Ti8O20
36
60
498.15
mp-19516
11.264244
11.301853
-3.061758
other
Al8W12O48
68
60
1,050.03
mp-27612
8.093435
0.771579
-4.155163
other
B8H56N16
80
60
640.93
mp-1019570
12.496472
6.383708
-0.074714
other
Ca32Si20O72
124
60
1,713.46
mp-772650
8.37609
10.937665
-3.342283
other
Li8Cr20O48
76
60
1,034.26
mp-28279
1.065156
1.381429
-4.580047
other
Gd8N4Cl12
24
60
541.43
mp-755904
10.020177
2.588052
1.650012
other
Li4V4F16
24
60
284.16
mp-16970
12.900921
6.118408
-0.741628
other
Na8Si8O20
36
60
480.34
mp-14761
8.504096
1.641043
-0.499702
other
Tm12Au24F108
144
60
2,253.86
mp-2646920
5.451854
-0.446148
-3.078178
other
Eu4B8H32
44
60
428.21
mp-1204592
9.339526
5.107403
-6.104494
other
Pb4S12O40
56
60
814.29
mp-650280
-2.986171
-0.878635
-5.004702
other
Cs16As64S104
184
60
5,496.08
mp-756798
-1.20096
1.989781
-1.819535
other
Sr8Ca4I24
36
60
1,675.06
mp-1247482
0.507274
2.441776
1.822492
other
Co28Si4N24
56
60
578.42
mp-1208442
11.127559
11.743345
2.819594
other
Ta8Cd4O24
36
60
451.01
mp-1245612
0.406861
2.350689
2.084519
other
Mn28Si4N24
56
60
536.49
mp-1210443
-6.485212
-6.549946
2.216597
other
Na20Zn8Sn40
68
60
1,902.92
mp-772876
-1.255679
1.957784
-1.647126
other
Ba4Sr8I24
36
60
1,814.21
mp-726390
7.420373
7.097734
-3.888348
other
U4I8O36
48
60
823.82
mp-1204846
7.307305
6.920884
-3.801208
other
Np4I8O36
48
60
830.39
mp-667426
10.276301
9.036585
-1.814821
other
Bi32Te32O112
176
60
2,883.94
mp-754885
-1.195316
2.004177
-1.869286
other
Sr4Ca4I16
24
60
1,076.48
mp-540716
11.389426
11.602081
2.298043
other
Ta8Mn4O24
36
60
423.19
mp-30102
1.496034
2.412498
-5.344712
other
Ba4Pd4Cl16
24
60
663.94
mp-553953
11.532193
11.169956
-2.688004
other
In8W12O48
68
60
1,346.51
mp-27742
8.98716
8.629164
0.324241
other
K8Cd4O8
20
60
383.69
mp-769147
9.023448
6.698178
-3.810936
other
Y8Se12O48
68
60
1,225.53
mp-753737
-4.402316
-1.533327
-5.844638
other
Li12Cu4S8
24
60
341.2
mp-1247404
1.625109
1.761541
1.433894
other
Sr28Co4N24
56
60
1,082.4
mp-1245958
1.578914
1.713708
1.480002
other
Sr28Ru4N24
56
60
1,111.09
mp-4762
-3.962846
-1.536961
-5.441988
other
Tl4Ag12S8
24
60
552.11
mp-1246760
2.154072
2.215932
1.575339
other
Zn28Si4N24
56
60
712.58
mp-4643
10.749243
12.034597
2.329366
other
Nb8Cu4O24
36
60
427.9
mp-1198383
12.489161
5.345969
-2.377443
other
Ho8B12O32
52
60
500.27
mp-1195306
-5.802807
-3.306994
-1.843363
other
K28Fe16Te32
76
60
2,632.61
mp-849758
13.861946
7.988088
-5.618782
other
P16W4O48
68
60
1,047.89
mp-1246854
1.692362
1.739426
1.251314
other
Sr28Se4N24
56
60
1,177.37
mp-1204701
5.96097
5.583386
-4.248659
other
Cd4N8O24
36
60
643.58
mp-1200444
-3.92487
-5.683055
5.033735
other
Ba32Si24Sn4
60
60
2,139.27
mp-1245657
1.505295
1.779303
1.40866
other
Ba28Ti4N24
56
60
1,303.57
mp-628951
13.27754
9.109684
-6.90047
other
V8P8O36
52
60
623.69
mp-14802
8.502905
1.677305
-0.521548
other
Lu12Au24F108
144
60
2,220.85
mp-570241
-4.485276
-2.272496
-3.465868
other
K24Pd4Se80
108
60
3,553.72
mp-26550
14.0651
7.396636
-5.721688
other
Nb4P16O48
68
60
1,072.91
mp-1210474
-6.534345
-6.650918
2.132889
other
Na20Sn40Hg8
68
60
2,009.43
mp-8892
9.114422
1.092482
0.89919
other
Li4In4F16
24
60
275.98
mp-1245382
1.646628
1.751321
1.522073
other
Ca28V4N24
56
60
910.84
mp-721084
8.822309
1.101033
-4.045
other
H28I4N8
40
60
526.95
mp-556937
11.648948
11.084341
-3.842863
other
Y8Mo12O48
68
60
1,415.18
mp-18373
9.331003
7.117576
-3.545452
other
Zn4Se8O20
32
60
429.52
mp-1245341
0.502813
2.553615
1.833059
other
Co28Sn4N24
56
60
600.45