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-2219532
-9.16328
2.688321
-4.183622
other
Mg1Te4Mo3W1Se2S2
13
156
453.19
mp-2219515
-8.160602
2.986272
-5.194321
other
Mg1Te2Mo2W2Se4S2
13
156
438.47
mp-2219462
-9.756581
2.752035
-4.355131
other
Mg1Te4Mo2W2Se2S2
13
156
451.43
mp-2218896
-8.175017
3.002849
-5.195014
other
Mg1Te2Mo2W2Se4S2
13
156
440.92
mp-684728
4.705398
3.254611
0.290974
other
Ba2Tm2Al3Si5N11O3
26
156
401.96
mp-2219031
-7.889825
2.85817
-4.922368
other
Mg1Te2Mo3W1Se4S2
13
156
367.6
mp-2219280
-8.178083
3.001614
-5.193213
other
Mg1Te2Mo2W2Se4S2
13
156
441.64
mp-2232388
11.440059
11.663255
-2.226846
other
K2Rb1Tb1Mg1V2O8
15
156
293.95
mp-2219265
-8.209764
3.110702
-5.242539
other
Mg1Te2Mo2W2Se4S2
13
156
450.71
mp-2227459
-9.737924
2.729631
-4.324397
other
Mg1Te4Mo2W2Se2S2
13
156
450.59
mp-2219151
-7.872958
2.79878
-4.921198
other
Mg1Te2Mo3W1Se4S2
13
156
442.52
mp-2219858
-9.197647
2.698934
-4.198308
other
Mg1Te4Mo3W1Se2S2
13
156
443.61
mp-1214735
12.2318
6.668003
-1.510814
other
Ba6Fe3Si8C2Cl3O30
52
156
739.87
mp-2219000
-9.747676
2.77314
-4.331382
other
Mg1Te4Mo2W2Se2S2
13
156
471.38
mp-2715588
14.532776
4.67556
-7.861343
other
Na6Ta10Zn2Si6P12O72
108
158
1,529.28
mp-2714341
14.108133
4.248182
-7.460958
other
Na24Ca8Ta4Si6P12O72
126
158
1,739.02
mp-1198421
9.233551
3.357641
-5.427732
other
Na6Mg6Al6H108C36O126
288
158
3,092.12
mp-2712731
14.198937
3.347826
-8.609703
other
Na12Mg4Ta8Si12S6O72
114
158
1,565.3
mp-2712758
14.083467
3.232902
-8.600531
other
Na12Ca4Nb8Si12S6O72
114
158
1,660.87
mp-2714441
14.115407
4.503279
-7.326286
other
Na24Mg8Nb4Si6P12O72
126
158
1,574.42
mp-2714611
13.974665
4.396094
-7.470015
other
Na24Ta4Zn8Si6P12O72
126
158
1,588.08
mp-2714541
12.358813
3.730799
-8.254729
other
Na6Ca8Nb4P6S12O72
108
158
1,693.45
mp-2714542
14.054285
4.282136
-7.394497
other
Na24Ca8Nb4Si6P12O72
126
158
1,724.99
mp-2713284
12.770487
3.356632
-8.510919
other
Na12Ca8Nb4Si6S12O72
114
158
1,718.45
mp-2715615
14.363054
4.723766
-7.755531
other
Na6Nb10Zn2Si6P12O72
108
158
1,541.62
mp-2715789
14.58856
4.680798
-7.852208
other
Na6Mg2Ta10Si6P12O72
108
158
1,523.13
mp-2713639
12.415193
3.610563
-8.356777
other
Na12Ta4Zn8Si6S12O72
114
158
1,547.2
mp-2712657
14.088765
3.34036
-8.563281
other
Na12Mg4Nb8Si12S6O72
114
158
1,585.61
mp-2714490
13.92254
4.443733
-7.377487
other
Na24Nb4Zn8Si6P12O72
126
158
1,590.36
mp-2715812
12.328945
3.852104
-8.27482
other
Na6Mg8Nb4P6S12O72
108
158
1,492.64
mp-2715590
14.442581
4.658481
-7.777335
other
Na6Ca2Nb10Si6P12O72
108
158
1,581.23
mp-2712594
14.034438
3.296376
-8.683873
other
Na12Ta8Zn4Si12S6O72
114
158
1,576.38
mp-2715777
11.926926
3.909105
-8.105031
other
Na6Nb4Zn8P6S12O72
108
158
1,507.99
mp-2715554
14.422962
4.729418
-7.743102
other
Na6Mg2Nb10Si6P12O72
108
158
1,539.1
mp-2714588
14.180824
4.438751
-7.422944
other
Na24Mg8Ta4Si6P12O72
126
158
1,575.88
mp-2715627
14.62617
4.613661
-7.889038
other
Na6Ca2Ta10Si6P12O72
108
158
1,562.68
mp-2713655
12.367339
3.563881
-8.373092
other
Na12Nb4Zn8Si6S12O72
114
158
1,561.21
mp-2714390
12.407974
3.794313
-8.216442
other
Na6Ca8Ta4P6S12O72
108
158
1,676.75
mp-2713671
12.782521
3.40802
-8.46116
other
Na12Ca8Ta4Si6S12O72
114
158
1,698.75
mp-2713242
12.817017
3.492791
-8.48445
other
Na12Mg8Ta4Si6S12O72
114
158
1,541.85
mp-2713682
12.80311
3.434739
-8.509333
other
Na12Mg8Nb4Si6S12O72
114
158
1,547.87
mp-2714401
11.954603
3.965915
-8.076564
other
Na6Ta4Zn8P6S12O72
108
158
1,494.53
mp-2712752
13.935946
3.283205
-8.630874
other
Na12Nb8Zn4Si12S6O72
114
158
1,590.4
mp-2714414
12.348744
3.918691
-8.248597
other
Na6Mg8Ta4P6S12O72
108
158
1,483.73
mp-2712645
14.191851
3.240171
-8.683215
other
Na12Ca4Ta8Si12S6O72
114
158
1,644.75
mp-1229293
9.723552
5.073565
-4.851672
other
Al2Cu12H24S2Cl2O38
80
159
799.94
mp-1201631
10.462371
3.904197
-4.458746
other
Al2Cu12H36S2Cl2O38
92
159
878.09
mp-1221546
12.760448
6.29121
-0.349306
other
Na16Al12Si12I3Cl1O48
92
16
1,498.09
mp-1173736
12.844742
6.1668
-0.797511
other
Na6Ca2Al6Si6S2O32
54
161
750.59
mp-680331
4.643975
2.724969
-3.646483
other
Cd4Hg12C24S24N24Cl8
96
161
2,294.17
mp-1199507
7.778949
1.097333
-4.388422
other
Si6B6H18C6N6Cl18
60
161
1,227.59
mp-1180020
10.668714
4.131477
-4.676533
other
Na2Mn6Cu2H48S8O48
114
161
1,111.32
mp-1204978
7.987811
0.473221
-4.385911
other
Si6B6H36C12N6Cl12
78
161
1,267.34
mp-2230108
11.271173
10.522247
1.078929
other
Ba3La1Mg1In1W2O12
20
160
297.13
mp-2240064
11.379916
10.039975
2.462723
other
Sr1La1Mg1Nb1Zn1O6
11
160
201.56
mp-728227
10.67165
7.154506
-1.859384
other
Na1Mg3Al6Si6B3O31
50
160
548.12
mp-1210493
12.368785
6.884856
-2.38588
other
Na1Fe9Si6B3H3O31
53
160
601.16
mp-1192032
13.37649
4.800076
-2.056374
other
Na1Sr3Be3B3O9F4
23
160
277.47
mp-818418
11.910453
7.038834
-1.567905
other
Na1Al6Fe3Si6B3O31
50
160
541.87
mp-1207887
13.20499
5.986874
-0.945272
other
Y3Al6Si6B3H3O31
52
160
587.67
mp-684976
9.236039
2.933151
-4.23928
other
Cs1Co1H18N6Cl4O8
38
160
501.66
mp-735523
10.731008
5.550947
-5.546
other
Fe3P1H6Pb1S1O14
26
160
268.76
mp-684996
8.871691
11.070454
1.106008
other
Ba3La1Zn1Re1W1O12
19
160
264
mp-1192840
13.607543
4.832648
-2.366797
other
K2Zn4Cd2B4O12F2
26
163
346.17
mp-534904
9.555961
10.801132
2.572381
other
Ba6La6Mg6Ti3W3O36
60
164
780.99
mp-1234370
9.745875
9.981963
2.763728
other
Ba6Ca1Nb2Ir1Cl2O12
24
164
486.54
mp-1234510
9.573211
10.056234
2.843199
other
Ba6Mg1Nb2Ir1Cl2O12
24
164
479.49
mp-562139
8.466979
2.082036
-4.63308
other
Li1Co1H24C8N8O12
54
164
511.6
mp-1214629
10.742862
12.765711
0.10118
other
Ba2Zn2Cr7Ga2Sn2O22
37
164
447.14
mp-1235620
9.539381
10.063165
2.909409
other
Ba6Li1Nb2Ir1Cl2O12
24
164
479.87
mp-558370
12.410618
7.241045
-1.593728
other
Ca6Ti2Be4Si4As12O40
68
165
954.47
mp-2230018
11.288196
10.568257
1.074824
other
Ba2La2Mg1Zn1W2O12
20
166
275.28
mp-557227
12.571079
6.326762
-0.715426
other
K1Ca12Si4S2O26F1
46
166
631.38
mp-24132
9.238207
2.831067
-4.28222
other
K1H18Ru1N6Cl4O8
38
166
410.74
mp-766955
10.628764
4.938757
-4.305863
other
K6Na2Mn1H24W6O36
75
166
934.35
mp-729152
10.497766
5.4862
-4.396969
other
Si2Mo24H48C12N6O80
172
166
2,056.69
mp-720800
10.513332
5.504628
-4.34462
other
Mo24P2H48C12N6O80
172
166
2,075.01
mp-24099
9.35449
2.815751
-4.297844
other
K1Cr1H18N6Cl4O8
38
166
407.42
mp-1196364
9.243577
2.808272
-4.271248
other
Rb1H18Ru1N6Cl4O8
38
166
439.38
mp-1180044
10.291284
4.865612
-4.242154
other
P2H48W24C12N6O80
172
166
2,221.09
mp-720804
12.374266
5.495912
-5.757011
other
K6Na6Te2P12H12O48
86
167
1,154.76
mp-1199814
8.221931
1.469595
-4.516537
other
Ni2H96C36S12N28O12
186
167
2,122.39
mp-1203248
8.295471
1.871615
-4.473462
other
Ti2H48C12I6N24O12
104
167
1,342.44
mp-541025
10.683168
3.915694
-4.190591
other
Ca6Si2H60C2S2O50
122
173
1,116.12
mp-1214820
10.038421
4.371164
-4.584805
other
Ca6Si2H28C2S2O20
60
173
727.49
mp-1204177
12.450635
5.330245
-5.04915
other
Na12Co6B18P12H6O76
130
173
1,480.11
mp-1198429
12.646604
5.18763
-4.696356
other
Na12Mg6B18P12H6O76
130
173
1,488.64
mp-1205268
12.251503
5.40354
-5.741629
other
Na12Ni6B18P12H6O76
130
173
1,474.02
mp-1204092
12.4464
5.230196
-5.291502
other
Na12Zn6B18P12H6O76
130
173
1,488.9
mp-705635
12.61601
6.215209
-0.966615
other
Na6Ca2Al6Si6C2O30
52
173
783.32
mp-1253229
12.869472
6.096706
-0.889263
other
Na6Ca2Al6Si6C2O30
52
173
731.75
mp-23660
10.365162
4.056989
-7.215031
other
K2Na44C4S18Cl2O84
154
176
2,096.84
mp-1195186
7.680035
2.558264
-5.091646
other
Rb2La4C12N12Cl2O12
44
176
581.79
mp-541101
9.787549
3.236016
-3.878006
other
Ho2H36C6S6O36F18
104
176
1,224.63
mp-540955
9.807518
3.273314
-3.970969
other
Lu2H36C6S6O36F18
104
176
1,207.03
mp-1199850
9.662502
3.325616
-4.161808
other
Bi2H36C6S6O36F18
104
176
1,254.21
mp-707824
9.722121
3.277626
-3.982687
other
Gd2H36C6S6O36F18
104
176
1,260.34
mp-556327
4.638309
2.773555
-3.6249
other
K12Hg6C12S12Br12N12
66
176
1,774.46
mp-540953
9.718562
3.272136
-3.916512
other
La2H36C6S6O36F18
104
176
1,288.19
mp-505716
9.749977
3.250825
-3.949935
other
Pu2H36C6S6O36F18
104
176
1,266.35