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-558339
13.597429
7.56666
-0.815452
other
Mg8Fe8Si16O48
80
61
889.85
mp-707908
12.280297
5.146602
-5.345065
other
K24P24H32O88
168
61
2,334.14
mp-24045
11.894452
4.736748
-5.100607
other
Al8P8H32O48
96
61
832.13
mp-601774
8.628295
1.139079
-4.339915
other
H112C32N8F24
176
61
1,484.53
mp-757437
12.729291
7.668563
-7.347269
other
Li8Co8P8O32
56
61
612.47
mp-698223
11.657855
4.528391
-4.688295
other
Na16P8H40O48
112
61
1,244.33
mp-555721
1.944422
1.92438
1.479499
other
Sr32Ga8N24O8
72
61
1,318.01
mp-1008228
8.579538
2.173702
-0.683092
other
Sn8P8O8F56
80
61
1,407.52
mp-1042418
6.65855
9.379904
-1.700135
other
Zn8Ag8Bi8O40
64
61
851.2
mp-774624
13.29121
5.25932
-2.978
other
Li8Cu8B8O24
48
61
455.9
mp-1204461
8.985697
5.796523
-6.515067
other
Cs8V8S8O48
72
61
1,286.13
mp-1198231
9.374065
8.554288
-5.425711
other
Tl8V8P8O48
72
61
1,195.31
mp-1182715
8.569334
3.326139
-5.423536
other
Cu4H24C16O32
76
61
866.67
mp-720296
13.307149
4.286952
-2.743808
other
Na24B40H32O88
184
61
1,804.26
mp-1042392
9.950514
9.5115
-0.274031
other
Mg8Bi8Sb8O40
64
61
871.98
mp-1042377
7.151841
9.055159
-0.860663
other
Mg8Sn8Bi8O40
64
61
848.29
mp-1199577
8.003902
2.434157
-4.79423
other
H56C56N24O48
184
61
2,261.35
mp-1195203
7.659153
0.585385
-4.088233
other
Mn8B16H112N16
152
61
1,504.97
mp-23682
8.64387
3.23227
-5.548461
other
K8H24C16O32
80
61
1,035.98
mp-777931
10.441435
4.321783
-6.970454
other
Li16Sn16S24O96
152
61
2,295.17
mp-735022
12.745028
5.266881
-5.632075
other
Sr16P16H16O64
112
61
1,411.92
mp-1199439
6.246421
4.999096
-4.595575
other
K8U8N24O88
128
61
2,008.61
mp-605344
10.067153
5.123928
-4.48527
other
Zn8H32Se8O48
96
61
989.42
mp-558763
9.635942
7.559561
-3.162863
other
Ag16Hg8Se16O48
88
61
1,389.85
mp-757351
9.441647
8.108052
-5.551759
other
Li16Fe8P16O64
104
61
1,161.74
mp-1210004
11.337781
10.960045
-3.656545
other
Rb32Zn8Mo24O96
160
61
3,241.31
mp-1041564
13.461102
8.300894
-0.672049
other
Ca8Ti8Si16O48
80
61
1,011.14
mp-757820
12.283383
7.516971
-7.440309
other
Li8Ni8P8O32
56
61
612.65
mp-649472
12.249716
6.717673
-6.611346
other
K8Cu8P8O32
56
61
840.66
mp-1182757
10.646802
5.307704
-4.220452
other
Na16Mo8H32O48
104
61
1,304.61
mp-1199150
14.156195
5.14569
-1.680298
other
Ce8B16O32F8
64
61
774.26
mp-722900
8.180576
4.247223
-4.595848
other
Ca16H48N16O80
160
61
1,845.49
mp-1195440
11.522356
5.104092
-4.727235
other
Ga8As8H32O48
96
61
953.43
mp-1041992
13.589532
8.436023
-0.791072
other
Ca8Si16W8O48
80
61
1,089.97
mp-1202687
8.640441
2.081521
-0.281885
other
Hg16B8O8F32
64
61
1,187.25
mp-1020160
13.834388
4.212256
-2.216879
other
Na24Zn8B40O80
152
61
1,803.67
mp-1211096
10.301399
10.751609
-2.945346
other
Na16H16W8O32
72
61
1,285.39
mp-1019610
12.91417
6.271104
-0.604347
other
Cs16Mg8Si40O96
160
61
2,691.68
mp-695995
10.485332
5.216207
-4.331724
other
Re8Sb8H32O56
104
61
1,279.67
mp-1041479
12.130773
7.135117
-1.296987
other
Mg8Cu8Si16O48
80
61
879.65
mp-867524
8.67825
4.897263
-4.067198
other
K8H32O32F8
80
61
987.16
mp-1042618
9.150597
10.958521
-2.495473
other
Mg8Cr8Bi8O40
64
61
865.04
mp-1041482
13.54628
7.684597
-0.76853
other
Zn8Si16Sn8O48
80
61
991.66
mp-554075
11.659255
11.077242
-3.768575
other
Sm8Cu8Mo16O64
96
61
1,546.79
mp-558019
12.59506
7.711644
-0.024483
other
Ce24Si16B8O80
128
61
1,681.61
mp-780576
10.466063
4.326577
-6.984018
other
Li16Sn8S16O64
104
61
1,476.55
mp-566937
12.641335
6.923435
-6.502595
other
Tl8Cu16P16O56
96
61
1,409.99
mp-728402
8.432523
1.75085
0.053984
other
Rb16U8O24F32
80
61
1,817.63
mp-24656
10.180827
4.570621
-6.052573
other
Y8H24S24O96
152
61
1,993.91
mp-14429
9.457928
8.465018
0.159326
other
Cs8K32Ga8O32
80
61
1,684.35
mp-764857
9.649356
5.18575
-6.802585
other
Li16Ni16S24O96
152
61
1,764.71
mp-561248
-5.3995
-3.253284
-2.948644
other
Sm8Cu8Te8S8
32
61
729.96
mp-553972
4.719635
2.76582
-3.706931
other
Cu8C8S8N8
32
61
529.28
mp-1178063
10.527558
4.348751
-7.127738
other
Li16Cr16S24O96
152
61
1,930.53
mp-560409
6.627446
3.089114
-3.315128
other
P24S24N48F40
136
61
2,482.93
mp-1209287
8.063042
1.634733
0.782443
other
Rb8Sb8Cl8F24
48
61
1,083.39
mp-654129
-3.936932
-2.354838
-3.531619
other
Ga8Ag8P16Se48
80
61
2,195.85
mp-757767
11.611414
7.674063
-7.75627
other
Li32Mn8P16O72
128
61
1,401.52
mp-1041856
13.715248
7.671018
-0.847853
other
Zn8Cr8Si16O48
80
61
916.67
mp-706302
11.438773
5.88646
-5.621101
other
Al16P16H32O88
152
61
1,904.75
mp-1042736
11.745643
10.774992
-1.464212
other
Zn8Bi8W8O40
64
61
979.85
mp-757013
11.878859
7.243733
-1.941142
other
Li8Mn8Si16O48
80
61
860.04
mp-1200474
13.676799
7.501992
-4.670042
other
B16P64H48O96
224
61
3,642.99
mp-1042447
7.312028
9.513516
-0.45972
other
Ti8Zn8Bi8O40
64
61
876.65
mp-780594
10.357718
4.337554
-7.007921
other
Li16Fe8S16O64
104
61
1,211.17
mp-23800
10.240342
4.430855
-6.144298
other
K16H16S16O64
112
61
1,646.91
mp-1194551
-4.302626
-1.163541
-4.796433
other
Ba4Ge16Rh8S24
52
61
1,067.77
mp-1196802
8.596155
1.409064
0.98735
other
K16Zr8H8F56
88
61
1,397.82
mp-1042799
6.352371
9.970798
-1.599667
other
Mg8Ni8Bi8O40
64
61
789.62
mp-1194878
10.328375
9.402391
-1.960138
other
Na8In8Te16O48
80
61
1,265.02
mp-559861
10.52742
9.532928
-1.586791
other
Nb8Bi8Te16O64
96
61
1,494.98
mp-727112
6.804389
4.763186
-4.774067
other
Sr8Cu8C32O80
128
61
2,465.87
mp-851105
9.555018
5.272121
-6.731173
other
Li16Cu16S24O96
152
61
1,811.29
mp-721180
10.192089
3.054485
-4.367936
other
U4H56N16O32
108
61
899.46
mp-765394
12.211687
7.483129
-7.456798
other
Li8Ni8P8O32
56
61
599.53
mp-1041862
13.676931
7.593685
-0.802527
other
Mg8Cr8Si16O48
80
61
900.29
mp-758969
10.184929
4.490241
-7.292481
other
Li16Mn8S16O64
104
61
1,255.07
mp-1041945
13.632203
7.47289
-0.790581
other
Ca8Cr8Si16O48
80
61
1,021.7
mp-759347
10.663277
4.42296
-7.02809
other
Li16V8S16O64
104
61
1,232.7
mp-14428
9.792336
8.678936
0.211377
other
K8Na32Ga8O32
80
61
1,217.94
mp-755899
6.83504
13.801385
-1.453373
other
Li4Mn2Ni4O12
22
64
215.79
mp-754264
12.754298
13.050072
-0.24046
other
Li4Ti2V4O12
22
64
239.25
mp-773023
13.916576
7.341118
-0.809001
other
Li8Cr8Si24O60
100
64
1,320.27
mp-756038
9.02731
14.673239
-0.734246
other
Li4Mn4Cr2O12
22
64
234.4
mp-1214365
8.351824
10.86958
1.682653
other
Ba2Sc12Ni8O30
52
64
617.68
mp-1202047
9.805009
3.242363
-3.80971
other
Rb4B24H32O28
88
64
890.03
mp-1200095
14.064549
6.480018
-5.918967
other
Sr4Np4P8O32
48
64
643.44
mp-753584
7.427127
13.974029
-1.360224
other
Li4Co4Sn2O12
22
64
247.55
mp-765285
12.593468
6.641073
-1.205589
other
Li12Fe4Si24O60
100
64
1,243.2
mp-754946
9.287267
14.117228
-0.82621
other
Li4Cr4Fe2O12
22
64
226.29
mp-757292
12.042308
6.934508
-1.540315
other
Li12Si24Ni4O60
100
64
1,187.87
mp-757086
11.177
13.441162
0.128891
other
Li4Ti2Cr4O12
22
64
233.25
mp-1193553
12.55582
5.845919
-2.31209
other
Bi4B4Pb4O16
28
64
450.29
mp-562450
10.52523
9.695849
-2.582278
other
Co16Te2As4O32
54
64
627.75
mp-555604
12.981357
6.150956
-0.622686
other
Na12Dy4Si24O60
100
64
1,419.25
mp-650954
10.94261
8.297816
-2.242237
other
La4Fe20Ge12O60
96
64
1,225.74
mp-558824
8.695344
10.055459
-0.043712
other
K4Na8Ni4O8
24
64
414.11
mp-756363
11.448582
13.547633
-1.361451
other
Li4V4Co2O12
22
64
234.37
mp-1197961
8.295077
7.046124
-4.000165
other
Rb6Ga4Se8O28
46
64
896.35
mp-707195
12.522364
5.793477
-1.495642
other
K8Si8H8O24
48
64
652.77