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-2713416
13.032575
4.676359
-8.04578
other
Ta6In6P12S6O72
102
9
1,553.17
mp-2715429
13.168742
5.194846
-7.428085
other
Na18Zn6Ge6P18O72
120
9
1,457.32
mp-2712932
12.357959
3.927381
-8.292615
other
La6Ti6P6S12O72
102
9
1,646.73
mp-1180247
8.165452
7.052562
-4.971826
other
Na2Cd2P4N2O20
30
9
480.38
mp-2713575
12.854425
4.437032
-7.96601
other
Na12Ga12P12S6O72
114
9
1,412.02
mp-1221357
8.028333
4.829228
-6.564099
other
Na12Yb4C8O24F8
56
9
722
mp-2712956
12.312947
4.023682
-8.28736
other
Ca6Ta6P6S12O72
102
9
1,617.36
mp-2713454
13.038707
4.73569
-8.12224
other
Nb6Ga6P12S6O72
102
9
1,447.12
mp-2713990
12.254683
3.724989
-8.050245
other
Na18Mg12P6S12O72
120
9
1,516.9
mp-1228361
7.803635
10.409147
0.977058
other
Ba6Bi2Ir2Ru2O18
30
9
468.39
mp-2715435
13.391226
5.280089
-7.418993
other
Na18Mg6Ge6P18O72
120
9
1,440.28
mp-2715242
13.559766
5.192415
-7.188079
other
Na18Mg6Sn6P18O72
120
9
1,539.93
mp-2713654
14.603345
4.137535
-7.526941
other
Na18Ti12Si12P6O72
120
9
1,522.51
mp-2712759
12.930771
3.606855
-8.634045
other
Na12Si12Ge12S6O72
114
9
1,395.99
mp-2713640
13.575407
4.858608
-7.443069
other
Na12La6Ge6P18O72
114
9
1,664.4
mp-2715297
15.145171
3.8518
-7.511296
other
Na12Hf4Ta4Si12O48
80
9
1,073.95
mp-2712744
14.369434
3.368767
-8.551303
other
Na12Zr12Si12S6O72
114
9
1,675.14
mp-2715478
14.951843
3.763556
-7.59171
other
Na18Ti6Nb6Si18O72
120
9
1,572.34
mp-2715406
14.784101
3.661892
-7.742135
other
Na18Ta6Si18Ge6O72
120
9
1,510.15
mp-2715264
14.606535
3.699856
-7.6415
other
Na18Nb6Si18Ge6O72
120
9
1,517.41
mp-2713667
12.777356
3.274349
-8.181353
other
Na12La12Si6S12O72
114
9
1,974.14
mp-2713354
12.995131
4.710373
-7.954296
other
Nb6In6P12S6O72
102
9
1,568.12
mp-2713398
13.195804
3.680693
-8.835557
other
Sc6Ta6Si6S12O72
102
9
1,574.05
mp-559777
13.604186
5.116224
-6.576691
other
Na10Ca4Al2P8O32
56
9
732.11
mp-1200633
8.184557
0.87782
-4.469344
other
Ag2H24C8Se10N2
46
9
686.25
mp-1173173
8.721117
9.803773
1.988296
other
Sr2La2Ga2Cu2O10
18
9
252.2
mp-2713435
12.563639
3.737099
-8.582443
other
Nb8Zn4Si6S12O72
102
9
1,545.71
mp-2713687
13.387231
3.298978
-8.517734
other
Na12Sc12Si6S12O72
114
9
1,609.62
mp-1227280
10.329795
11.583077
2.841213
other
Ca4Zr4Nb4Fe4O28
44
9
550.55
mp-2712760
13.243114
4.715592
-7.813512
other
Na12Si6Ge12P12O72
114
9
1,364.94
mp-1219651
13.034125
6.263504
-0.519148
other
Rb2Na2Ca2Th2Si16O40
64
112
877.44
mp-1223475
13.011824
6.2776
-0.550995
other
K2Na2Ca2Th2Si16O40
64
112
845.9
mp-1232413
10.599044
4.263917
-5.309946
other
Na6Cu2P4H12N2O26
52
11
606.1
mp-696825
12.176009
6.889647
-1.157716
other
Ca4Al4Fe2Si6H2O26
44
11
477.24
mp-559235
8.514722
1.083422
-4.405545
other
B2H22C8N2Cl2F8
44
11
433.36
mp-1197754
9.391066
7.465089
-5.543238
other
Np2U2P8H8C4O32
56
11
786.54
mp-554318
8.499249
1.054433
-4.420607
other
B2H22C8Br2N2F8
44
11
449.17
mp-759934
9.655018
3.621944
-8.304315
other
K8Li4Mn4P4C4O28
52
11
759.03
mp-1307582
10.864474
4.44029
-5.243555
other
Na4Fe4H16S4O24F4
56
11
591.31
mp-759559
13.861682
6.16609
-6.009296
other
Na6Li2Mn2B2P2O14
28
11
346.57
mp-698134
9.29087
2.064403
-1.309692
other
K4Na4Sb4H12O6F20
50
11
678.09
mp-720999
9.958526
3.585043
-4.781216
other
Ca2Mg2U2H48C6O46
106
11
1,061.77
mp-776432
9.325887
3.792887
-8.163429
other
Na4Li2Cu2P2C2O14
26
11
305.97
mp-1201269
12.725373
6.849715
-0.547312
other
Ca2Ce2Al4Fe2Si6O26
42
11
479.98
mp-1196277
8.418336
3.571643
-4.927292
other
U2H8C4Se2N8O14
38
11
544.93
mp-745107
12.166938
6.909126
-1.116145
other
Ca4Mn2Al4Si6H2O26
44
11
476.65
mp-1191084
11.47672
2.389595
-3.483795
other
Na4Mn2P2H2O6F8
24
11
311.06
mp-1200671
9.475242
3.416665
-4.239201
other
V2H20C4S4O24F12
66
11
818.5
mp-764273
9.710729
3.56354
-8.560423
other
Na4Li2Mn2P2C2O14
26
11
321.56
mp-696909
9.033609
2.363967
-4.569011
other
Ni2H32C4S6N12O14
70
11
752.07
mp-1193859
10.866003
4.439556
-5.243419
other
Na2Fe2H8S2O12F2
28
11
294.6
mp-1173223
8.098063
10.199214
1.518762
other
Sr6Y4Fe2Cu6Bi2O24
44
11
644.24
mp-556333
12.195774
6.686434
-6.707927
other
K4Zn2Cu6P6O24F2
44
11
551.7
mp-1180232
8.269629
8.085257
-3.672612
other
Na2Ca4Al4As4O22F8
44
11
575.6
mp-1198593
9.331848
7.520546
-5.425967
other
Pu2U2P8H8C4O32
56
11
812.38
mp-775936
9.735876
3.585964
-8.066168
other
Na6Li2Cu2P2C2O14
28
11
328.01
mp-766031
10.726596
4.162423
-5.277369
other
Na2Mg2H8S2O12F2
28
11
280.9
mp-1193789
10.410167
4.203173
-5.104919
other
Na2Co2H8S2O12F2
28
11
289.26
mp-1214122
12.469052
7.136831
-1.035158
other
Ca2Ce2Al2Fe4Si6O26
42
11
488.4
mp-1194067
10.395267
4.294219
-5.126458
other
Na2Ni2H8S2O12F2
28
11
281.78
mp-707710
9.954633
3.564653
-4.770115
other
Sr2Mg2U2H48C6O46
106
11
1,087.92
mp-1200724
10.699728
3.703428
-4.298417
other
Mg8P8H112C4Cl8O80
220
11
2,070.73
mp-1200542
9.211893
7.525187
-5.243187
other
Th2U2P8H8C4O32
56
11
838.55
mp-1210434
8.387085
9.385701
-4.13151
other
Re12Pb6C4S4N8O52
86
113
1,608.63
mp-1202779
9.05162
2.744849
-4.757147
other
Rb2H24Au2C8S8O24
68
114
910.68
mp-2241238
11.614458
9.93326
1.22194
other
Sr4Mg1V2Fe2As2O6
17
115
276.13
mp-2231197
8.669764
1.79007
1.279037
other
K2Na2Mg1Nb2O2F10
19
115
324.75
mp-2229265
10.153969
10.342412
1.39488
other
Sr4Mg1Fe2Cu2S2O6
17
115
263.46
mp-2229175
9.842188
10.239071
1.57555
other
Sr4Mg1Mn2Cu2S2O6
17
115
267.99
mp-1218589
7.505025
10.008535
1.447993
other
Sr4Ca1Pr2Cu4Hg1O14
26
119
361.12
mp-2230815
10.766356
7.969372
2.768495
other
La5Mg1Cu4P4Cl2O4
20
119
395.75
mp-1211906
-3.728103
-1.549247
-5.759305
other
K5Zn4Sn5H4S17N1
36
119
968.68
mp-572625
4.698978
2.694879
-3.569492
other
Cs6Sr2Cu4C14S14N14
54
121
1,223.76
mp-1214627
8.02439
9.910124
1.776529
other
Ba2Sr1Y2Cu2Pt1O10
18
12
261.38
mp-1203019
9.722282
7.20352
-2.89702
other
Ca6Mn1Si6Pb2S2O32
49
12
686.88
mp-2230028
11.41318
10.562634
0.973564
other
Ba2La2Mg1Mn1W2O12
20
12
289.6
mp-2230467
9.161218
1.753791
1.662617
other
Rb2Mg1Ti2Zn2O2F10
19
12
283.61
mp-1197384
8.720723
3.138411
-4.873736
other
Co1H12Pd1C4N4O12
34
12
389.23
mp-720245
12.398559
7.531041
-0.80954
other
Cs2K2Na2Li26Si8O32
72
12
826.79
mp-1211355
13.871342
7.58529
-0.800204
other
K1Li1Al2Si4O10F2
20
12
251.46
mp-697563
12.512264
4.326135
-2.795107
other
Ca4Mg1B4H6C2O18
35
12
345.58
mp-1228635
7.141488
9.834745
0.63143
other
Ba6Ca1Eu2Cu6Hg3O21
39
12
573.02
mp-1235003
8.925076
1.961668
2.049722
other
Ba6Mg1Sc2C2O6F14
31
12
526.25
mp-1211795
13.809152
7.812155
-0.707675
other
K2Na2Si10Sn2W6O26
48
12
785.65
mp-1233101
9.827919
9.927748
2.914568
other
Ba6Ca1Nb2Ir1Cl2O12
24
12
508.39
mp-866806
9.392425
3.743743
-6.492373
other
Tb2Ag2H4C4S2O18
32
12
389.44
mp-866302
11.101737
4.10996
-4.909862
other
Ba2Na2P6H6N6O12
34
12
413.99
mp-753955
8.883841
3.402101
-5.540954
other
K3H8Rh1C4Cl2O12
30
12
400.67
mp-1233236
11.144892
11.337608
-2.215574
other
Ba1Ca1V2Ni3H2O10
19
12
248.24
mp-1235210
9.946457
9.974095
2.714283
other
Ba6Li1Nb2Ir1Cl2O12
24
12
484.57
mp-2232136
11.535927
11.593769
-1.955629
other
K2Rb1Tb1Mg1V2O8
15
12
279.59
mp-1203395
8.605518
1.713917
-4.471625
other
U2H24C8Se2N4O16
56
12
715.73
mp-1200471
12.601287
5.805346
-5.564395
other
Cs1V3B2P4H8O22
40
12
435.77
mp-744094
10.218827
10.161823
2.960182
other
Ba4La12Mg8Ti6W2O48
80
12
1,119.12
mp-696994
9.92006
2.250251
-3.65281
other
Zr4H32S2N6O12F18
74
12
693.34
mp-2230700
8.692722
1.829514
1.390214
other
K2Na2Mg1Nb2O2F10
19
12
369.98
mp-561491
12.783443
6.537531
-0.589041
other
K1Na1Mg2Si4O10F2
20
12
250.91
mp-690769
10.947717
3.341923
-4.474517
other
Cu1P2H12N2O8F2
27
12
251.28
mp-698296
8.872574
1.934924
-4.543527
other
U2H24C8S2N4O18
58
12
633.5
mp-1236219
11.175143
11.590568
-2.39699
other
Ba1Li1V2Ni3H2O10
19
12
223.84