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-767675
9.5411
13.64493
-0.678249
other
Li8Ti8V2Fe8O36
62
55
694.7
mp-775160
6.90411
13.720131
-1.630819
other
Li8Ti4Fe8Co6O36
62
55
648.78
mp-1177433
10.22808
13.702686
-0.42211
other
Li8Ti8Cr8Ni2O36
62
55
657.09
mp-769455
9.356855
14.093322
-0.309072
other
Li8Ti8Mn8Cr2O36
62
55
682.27
mp-767373
8.850161
13.784722
-0.614661
other
Li8Ti8Mn2Fe8O36
62
55
688.45
mp-707014
8.934894
1.515775
-4.299857
other
P8H40S16N8O4
76
55
1,039.85
mp-774577
11.259782
13.459836
-0.221267
other
Li8Ti8V2Cr8O36
62
55
672.13
mp-774578
8.973536
14.218871
-0.338057
other
Li8Ti8Mn8Fe2O36
62
55
685.5
mp-561705
10.402847
9.4598
-1.810899
other
Zn8Co8Te8Br16O24
64
56
1,385.4
mp-1196995
10.25014
3.097946
-4.978359
other
Mn4H16S4N8O16
48
56
492.35
mp-680388
10.344147
9.384479
-2.040916
other
Zn8Cu8Te8Cl16O24
64
56
1,218.62
mp-1201618
10.197366
4.053617
-6.257762
other
Na16H8S8N8O24
64
56
834.37
mp-1199194
10.193993
3.321176
-4.916675
other
Co4H16S4N8O16
48
56
454.59
mp-600219
8.512639
0.836875
-4.464258
other
Mn4H48C8N8Cl16
84
56
1,035.35
mp-703836
9.920906
4.787249
-5.605575
other
K16Zn4H24S16O72
132
56
1,967.55
mp-558939
8.47557
3.165271
-5.6038
other
Na12Mo4H24C24O48
112
56
1,371.89
mp-1194931
11.193031
3.801005
-4.882246
other
Fe4P4H16N8O16
48
56
447.6
mp-1204119
7.99787
3.640373
-3.492663
other
C8S8N4O16F24
60
56
940.39
mp-1199716
9.493733
2.061024
-3.866222
other
Si8H64C8N32F48
160
56
1,438.89
mp-651724
5.699674
3.334295
-4.642872
other
Fe8Te8Ru8C44O44
112
56
1,994.39
mp-777769
10.32617
4.335771
-5.86894
other
Li16Mn4H24S16O72
132
56
1,520.28
mp-746688
10.30672
4.326567
-5.97319
other
K16Mn4H24S16O72
132
56
1,761.35
mp-1195083
8.480645
0.846891
-4.502785
other
Fe4H48C8N8Cl16
84
56
1,035.97
mp-1200831
8.005405
0.642683
-4.52595
other
Al4H24C8Se4Cl12
52
57
976.8
mp-1215046
8.97466
6.406144
-4.037996
other
Ag12H4S4N12O8
40
57
729.32
mp-1207647
9.307844
6.602892
-3.93615
other
Zn8Hg8H12Se8O40
76
57
1,090.37
mp-1196941
8.006254
0.473789
-4.458159
other
Al4Te4H24C8Cl12
52
57
1,029.12
mp-1207587
10.001693
4.846195
-6.478389
other
Zn8Hg8H12S8O40
76
57
982.18
mp-1202350
9.325316
3.354684
-4.47752
other
Mo8H52C4N12O52
128
57
1,297.4
mp-556030
8.706909
3.72355
-6.853837
other
Ba4Cu4C4O12F8
32
57
419.35
mp-1203260
9.876119
3.636009
-5.105371
other
K4H8S4N4O12
32
57
426.8
mp-1195542
13.4462
4.810925
-1.735281
other
Rb8Li4Nd4B8O24
48
57
697.58
mp-741045
13.516675
5.175213
-6.571749
other
Na32Al8P16H8O72
136
57
1,611.61
mp-1205099
7.947732
0.513814
-4.569232
other
Al4Te4H24C8Br12
52
57
1,116.84
mp-1199139
8.484946
1.197923
-4.369505
other
Re4H48C16N4O16
88
57
1,038.91
mp-555089
12.426231
6.867889
-0.5106
other
Sr4Li16Ca4Si8O32
64
57
690.53
mp-1194692
12.887444
5.871694
-1.431304
other
Na8Zr4Si24H24O72
132
57
1,590.61
mp-1194993
13.368566
4.959584
-1.697355
other
Cs8Li4Nd4B8O24
48
57
780.72
mp-761169
10.023737
4.685011
-6.474533
other
Zn8Hg8H8S8O44
76
57
940.83
mp-571553
8.215302
0.692284
-4.468065
other
Sn4H72C24Br12N4
116
57
1,528.23
mp-727084
8.029233
4.465011
-6.363567
other
Rb8Cd4C8Cl8O20
48
57
1,069.85
mp-1208690
9.053533
9.401816
2.228018
other
Sr4La4Al4Cu4O20
36
57
489.56
mp-1214084
9.648848
5.17658
-6.172997
other
Co8Hg8H12S8O40
76
57
965.57
mp-510344
9.67305
5.139797
-6.324074
other
Co8Hg8H8S8O44
76
57
939.19
mp-759925
9.252621
6.832032
-4.092837
other
Zn8Hg8H8Se8O44
76
57
1,004.43
mp-1019720
14.210421
5.199453
-7.364951
other
Cs4Zr8Al4P16O64
96
57
1,547.47
mp-740732
11.329257
4.367907
-4.729543
other
U4P12H40Br4O32
92
57
1,191.36
mp-1204116
3.861815
2.771647
-3.102152
other
Sr4Ag8C16N16O8
52
57
1,095.71
mp-730972
11.321323
4.349972
-4.707731
other
U4P12H40Cl4O32
92
57
1,192.42
mp-1200973
8.738581
1.427925
-4.387809
other
H24C4N4Cl4O4
40
57
436.29
mp-1519664
9.855463
11.064733
1.057142
other
Ba4Na4La4W4O24
40
48
623.92
mp-1518830
6.053343
8.617572
-0.970893
other
K4Ba4Tb4Bi4O24
40
48
666.34
mp-1523221
9.813066
11.096041
1.032155
other
K4Ba4Gd4W4O24
40
48
616.24
mp-1518932
5.905316
8.510471
-0.089543
other
Sr4Ca4La4Bi4O24
40
48
620.92
mp-1520791
6.022816
8.620481
-0.412353
other
Ba4Na4Zr4Bi4O24
40
48
597.9
mp-1519780
5.932834
8.541566
-0.194598
other
K4La4Y4Bi4O24
40
48
625.13
mp-1520256
9.989032
11.168929
0.867461
other
K4Ca4Nd4W4O24
40
48
601.73
mp-1519244
10.015314
11.128016
0.944826
other
K4Sr4Nd4W4O24
40
48
615.55
mp-1516655
9.511117
9.100582
3.713087
other
Ba4Ce4Eu4Hf4O24
40
48
635.68
mp-1516834
10.009919
11.160335
0.98684
other
Na4Pr4Eu4W4O24
40
48
594.66
mp-1519055
10.0123
11.174718
0.980452
other
K4Nd4Eu4W4O24
40
48
613.2
mp-1521784
10.666629
9.684122
2.882115
other
Ba4Gd4Nb4Sn4O24
40
48
614.62
mp-1521661
9.926494
11.064104
1.066439
other
K4Ba4Nd4W4O24
40
48
637.35
mp-1520136
10.909215
10.71776
1.179814
other
Ba4Na4Ce4W4O24
40
48
605.98
mp-1518219
5.858649
8.403977
-0.127411
other
Ba4Sr4Tb4Bi4O24
40
48
645.18
mp-1520830
7.479972
8.791115
-0.487446
other
K4La4Eu4Sb4O24
40
48
791.31
mp-1519437
8.910901
9.222574
1.675416
other
Sr4Ca4Eu4Sb4O24
40
48
593.2
mp-1519230
5.960855
8.673056
-0.121239
other
Na4Sr4Ce4Bi4O24
40
48
620.04
mp-1521724
7.502468
8.878182
0.142043
other
K4Sr4Pr4Sb4O24
40
48
643.92
mp-1517737
11.260058
10.384412
0.408753
other
K4Sr4Sb4W4O24
40
48
596.12
mp-1522448
9.873892
11.106011
0.88241
other
K4Ca4La4W4O24
40
48
618.93
mp-1518812
10.041762
11.159905
0.915742
other
Na4Sr4Nd4W4O24
40
48
594.98
mp-1519713
9.898941
11.184338
0.942138
other
K4Sr4Pr4W4O24
40
48
621.26
mp-1517732
6.079291
10.572977
-0.131832
other
Ba4Na4Nd4Mn4O24
40
48
605.83
mp-1519752
9.988317
9.24899
1.577508
other
Ba4Dy4Sn4Sb4O24
40
48
601.01
mp-1520321
9.775135
8.807331
1.878978
other
Ba4Ce4In4Sb4O24
40
48
700.93
mp-1519937
10.065733
9.640409
3.606255
other
Sr4Nd4Eu4Nb4O24
40
48
614.25
mp-1516597
11.106137
10.82445
1.011302
other
Ba4Gd4In4W4O24
40
48
621
mp-1520292
6.124863
8.998098
-0.680747
other
K4Eu4Sn4Bi4O24
40
48
591.39
mp-1517259
6.018336
8.642044
-0.971325
other
Na4Sr4Tb4Bi4O24
40
48
614.87
mp-1520835
8.072022
9.182091
0.87179
other
Ba4Ca4Eu4Sb4O24
40
48
602.06
mp-1521103
9.850341
9.628628
3.555497
other
Ba4Pr4Eu4Nb4O24
40
48
644.31
mp-1521671
7.579115
8.893342
0.096767
other
Na4Sr4Pr4Sb4O24
40
48
618.97
mp-1516254
10.262917
10.878627
-0.002173
other
Ba4Na4Bi4W4O24
40
48
609.49
mp-1522715
6.053486
8.635537
-0.97906
other
Ba4Na4Tb4Bi4O24
40
48
648.55
mp-1518895
7.38884
7.950064
-2.128133
other
Eu4Al4In4W4O24
40
48
911.44
mp-1519196
9.823047
9.847344
3.63497
other
K4Sr4Ce4Nb4O24
40
48
610.44
mp-1523342
7.550785
9.149091
0.396322
other
Na4Eu4Y4Sb4O24
40
48
552.73
mp-1523028
9.462187
9.13354
2.317607
other
Sr4Eu4Dy4Sb4O24
40
48
586.78
mp-1520714
10.245302
10.996181
1.086143
other
Ba4Sr4Eu4W4O24
40
48
639.68
mp-1516301
8.413029
11.23823
1.333269
other
Ba4Sm4Eu4V4O24
40
48
610.29
mp-1519406
10.0116
9.658775
3.613285
other
Sr4Pr4Eu4Nb4O24
40
48
625.21
mp-1522945
11.061688
10.794377
0.996258
other
Ba4Pr4In4W4O24
40
48
649.08
mp-1519497
6.054595
10.612348
-0.09733
other
K4Sr4Nd4Mn4O24
40
48
597.99
mp-1523094
8.960194
11.267305
0.593291
other
K4Sr4Eu4W4O24
40
48
608.59
mp-1519241
5.944881
8.432421
-0.126314
other
Ba4Ca4La4Bi4O24
40
48
640.54
mp-1517743
10.652761
9.950423
2.695289
other
Ba4Eu4Nb4Sn4O24
40
48
613.88
mp-1518782
5.922596
10.389469
-0.725535
other
Ba4Na4Mn4Bi4O24
40
48
551.72
mp-1518813
6.082659
10.536979
-0.187727
other
Ba4Na4Pr4Mn4O24
40
48
605.05
mp-1522003
7.110018
7.663814
-2.007405
other
Ba4La4Eu4W4O24
40
48
1,161.62