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-669547
-5.530088
-1.128045
3.97237
other
Re16Si8
24
14
350.08
mp-27634
-0.739338
0.984203
-4.088317
other
Ti4Br16
20
14
750.13
mp-1080439
-4.91031
-1.701962
1.150294
other
P8Ru2
10
14
154.47
mp-29657
-5.702963
-6.436589
3.155813
other
Na16Ge16
32
14
796.94
mp-1073642
-2.45964
-5.505291
7.079097
other
Mg4Si8
12
14
230.56
mp-16897
-5.477388
-5.878809
0.669539
other
Sr16Sb24
40
14
1,355.12
mp-765624
9.719719
2.291238
-0.176491
other
V4F20
24
14
413.14
mp-10155
-5.014254
-2.023293
0.699842
other
P8Ir4
12
14
183.45
mp-556425
8.278031
2.091997
-0.636961
other
Sb16F64
80
14
1,224.15
mp-760320
9.737814
2.25011
-0.16115
other
V8F40
48
14
729.89
mp-2506972
11.908591
13.563792
-2.371866
other
V4O8
12
14
139.08
mp-1097707
-5.549375
-2.948839
-4.599148
other
Cu96Se48
144
14
2,456.93
mp-636148
10.705295
11.158059
-3.052726
other
W4O12
16
14
231.34
mp-1250007
-4.436928
-2.956669
-3.842563
other
Si8Se16
24
14
691
mp-27213
-0.581401
1.354656
-4.101706
other
Au8Br24
32
14
1,032.09
mp-1200183
-2.806377
-0.871165
-5.472777
other
B12S24
36
14
940.11
mp-1367785
9.025478
2.886348
0.655109
other
W4F20
24
14
356.28
mp-863400
10.233694
2.539549
0.347092
other
V4F16
20
14
253.72
mp-540625
-4.532131
-2.755515
-3.545063
other
Ge16Se32
48
14
1,488.28
mp-1195
-3.451571
-4.067219
0.575247
other
Ba6P28
34
14
888.03
mp-235
5.095584
3.046221
-3.90644
other
S4N4
8
14
168.31
mp-1195383
11.525934
8.025898
-3.0618
other
As48O72
120
14
2,171.63
mp-573495
1.640174
2.568211
-4.174372
other
I8Cl8
16
14
808.65
mp-734250
6.704047
6.056591
-3.817821
other
K4O8
12
14
226.42
mp-909
-4.255171
-2.44639
-3.506547
original
As8Se12
20
14
561.68
mp-771699
9.757269
9.967081
-1.590964
other
Sb8O20
28
14
405.62
mp-1203591
-1.014243
2.174149
-3.105576
other
Tc8I32
40
14
1,683.66
mp-706664
6.434819
0.329996
-3.41493
other
B80H104
184
14
1,731.9
mp-1103226
-2.643844
-2.626336
-5.656132
other
Tb4S8
12
14
243.81
mp-1771
6.08328
5.130539
-4.447593
other
N4O8
12
14
153.69
mp-20078
6.151845
8.707635
-1.333205
other
Pb8O12
20
14
312.2
mp-1102883
7.134018
8.329293
-1.400662
other
Y4O8
12
14
220.4
mp-1213825
6.433125
6.425216
-3.778115
other
Cl4O20
24
14
374.14
mp-573425
-7.814835
-5.912538
6.628724
other
Y32Co20
52
14
1,193.14
mp-571264
-7.706541
-6.515868
3.359009
other
Ca10Au8
18
14
473.04
mp-571011
-1.260787
3.08398
-2.983908
other
Cs4I16
20
14
982.23
mp-753574
9.796246
0.805109
-0.368483
other
Mn2F8
10
14
115.17
mp-736227
4.2935
2.422927
-3.339045
other
C16N16
32
14
763.37
mp-27164
-4.815344
-1.694519
1.20232
other
Fe6P24
30
14
429.43
mp-927
-3.606273
-3.592011
0.764275
other
Cu4P8
12
14
190.94
mp-31487
-1.176892
1.949948
-2.668429
other
Nb4I20
24
14
996.04
mp-567604
-0.236732
1.471412
-4.117332
other
Ge4Br16
20
14
743.77
mp-1199270
-5.659464
-5.603984
0.686712
other
Eu16Sb24
40
14
1,241.05
mp-562412
8.290647
1.37561
-0.556791
other
Ag6F16
22
14
294.27
mp-1197128
9.550914
8.558524
-0.594004
other
Bi16O24
40
14
660.56
mp-1087509
-4.834259
-1.729604
1.230606
other
P8Os2
10
14
154.68
mp-30086
2.141317
2.66086
-4.661742
other
Ge4Cl16
20
14
628.71
mp-1103100
-5.002402
-3.307209
-3.488333
other
Bi8S4
12
14
360.5
mp-1205345
10.687832
9.247705
-0.635586
other
Sb8O12
20
14
353.95
mp-2287
-6.910007
-2.258749
4.432267
other
Si4Rh4
8
14
105.92
mp-1106381
-4.678622
-5.258136
0.274101
other
Na8As8
16
14
372.13
mp-1043783
5.940714
9.037904
-1.839987
other
Bi8O20
28
14
461.89
mp-1120759
-4.649158
-1.806406
-3.087953
other
Pd2Se4
6
14
670.5
mp-778252
10.277606
12.458862
-4.141639
other
V20O48
68
14
1,042.32
mp-1178856
-5.795288
-2.544473
3.962983
other
U4Mo4
8
14
147.25
mp-32667
12.56361
7.043615
-1.269507
other
Si6O12
18
14
142.68
mp-669426
15.322291
5.798207
0.289039
other
Si8O16
24
14
338.84
mp-560366
8.269073
2.412876
-0.726079
other
Xe16F96
112
14
1,925.76
mp-1392
-3.441031
-3.816
0.570265
other
Zn8P16
24
14
469.91
mp-1182720
6.710121
5.829217
-3.734735
other
Ba4O40
44
14
721.14
mp-776041
10.057183
12.115762
-4.237598
other
V8O20
28
14
446.27
mp-556328
-2.934828
-0.889496
-4.830436
other
As16S16
32
14
863.31
mp-1214789
-4.221
-2.445139
-3.271576
other
B8Se16
24
14
621.81
mp-1105095
-3.549584
-4.254087
0.779519
other
Ba6P12
18
14
494
mp-1102408
-5.271967
-4.249729
0.42844
other
Pr4As8
12
14
295.72
mp-16922
-5.213975
-6.002351
0.732682
other
Ba16Sb24
40
14
1,545.91
mp-2913080
-0.4706
1.077226
-4.290112
other
Bi4Br12
16
14
691.5
mp-610517
-4.01371
-1.313962
-5.403615
original
Ag8S4
12
14
246.59
mp-558149
8.507249
2.050902
-0.854859
other
B8F24
32
14
417.19
mp-504902
-0.177226
1.259436
-4.223856
other
Si20Br40
60
14
2,473.2
mp-12003
-7.329921
-3.100069
5.914402
other
Al18Ir4
22
14
353.85
mp-1232221
-4.388222
-3.956763
-3.600764
other
Pm4Se8
12
14
295.61
mp-1179123
8.703132
7.970902
-3.50713
other
U12O40
52
14
854.25
mp-1095479
-2.785194
-2.53424
-5.603772
other
Gd4S8
12
14
248.78
mp-1182141
7.070505
8.548552
-1.924576
other
Ba8O16
24
14
421.4
mp-1180536
6.680136
5.952313
-3.847203
other
Na4O32
36
14
596.97
mp-610430
-0.509486
1.095596
-4.284255
other
Bi4Br12
16
14
586.58
mp-1102055
-5.280303
-4.214012
0.494768
other
La4As8
12
14
305.7
mp-28366
-3.646784
1.667123
2.936707
other
Gd8B20
28
14
358.53
mp-31000
5.85257
4.887172
-4.318952
other
N4O4
8
14
135.59
mp-1189507
6.801163
5.936751
-3.797834
other
Cs4O12
16
14
353.16
mp-1199938
-2.501479
-0.282124
-5.112637
other
P8S28
36
14
952.58
mp-30967
-8.064387
-6.413646
6.657042
other
Tb24Co14
38
14
848.5
mp-1205372
2.009946
2.747308
-4.405543
other
V4Cl16
20
14
612.1
mp-1232276
-2.708304
-2.67355
-5.521943
other
Pm4S8
12
14
259.77
mp-1182789
1.80712
2.745809
-4.968229
other
Fe24Cl72
96
147
2,444.17
mp-1216292
-7.754849
-5.688921
6.596143
other
Y12Co9
21
147
455.86
mp-1219339
-7.682887
-2.201756
3.869747
other
Si13Rh20
33
147
453.09
mp-1215986
-5.930223
-7.080678
4.280669
other
Yb12Mn9
21
147
553.56
mp-32644
0.774782
1.141922
-3.931509
other
Pr15Cl36
51
147
1,355
mp-1222465
-8.274594
-5.580046
6.471366
other
Lu12Co9
21
147
407.91
mp-1217007
-8.154325
-5.750974
6.673323
other
Tm12Co9
21
147
420.84
mp-567550
-8.515554
-6.043428
2.154807
other
In18Au42
60
147
1,185.76
mp-672264
4.87757
3.175898
-3.412161
other
W2N36
38
147
573.75
mp-1225806
-7.994909
-6.309338
6.675162
other
Gd12Co9
21
147
453.26
mp-15843
-8.085654
-4.140636
1.813903
other
Ge9Pd25
34
147
506.86
mp-1217743
-8.026944
-5.888701
6.528556
other
Tb12Co9
21
147
447.94
mp-2716
-7.317402
-2.215177
3.297677
other
Ti9Ni9
18
147
239.77
mp-1224199
-8.061515
-5.577071
6.53155
other
Ho12Co9
21
147
434.26
mp-1209041
-7.625572
-1.535585
2.699065
other
Si9Ni25
34
147
361.54