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-1215411
-4.839653
-4.958908
0.113346
other
Zn1In2Sn1As4
8
121
223.82
mp-22612
-5.399203
-2.426604
-3.976016
other
Fe1Cu2Sn1Se4
8
121
188.45
mp-1206045
-5.950727
-3.240762
-2.222677
other
Mn1Ag2Sn1Te4
8
121
268.53
mp-23576
8.077765
1.442188
0.910312
other
Cs4Sb4Cl4F12
24
121
597.79
mp-1283290
12.788918
12.358188
0.123552
other
Li8Ti4V4O16
32
121
292.96
mp-1227645
9.662337
9.52232
3.947954
other
Ba1Sr1Hf2O6
10
121
145.08
mp-1223874
-5.501064
-5.520399
0.365164
other
In4Ge1Sb2Te1
8
121
282.48
mp-7610
12.458977
6.83504
-0.612324
other
Li2Ca1Si1O4
8
121
84.72
mp-568968
-4.641378
-3.060166
-3.93985
other
K2Sn1Hg1Se4
8
121
242.21
mp-1025510
-5.267863
-2.687251
-4.136484
other
Fe1Cu2Si1Se4
8
121
172.3
mp-629443
-3.478409
-1.639598
-5.720734
other
Li2Eu1Ge1S4
8
121
166.74
mp-1213765
9.631685
3.510448
-4.158969
other
Cr1H14N3O8
26
121
223.98
mp-1025467
-4.525854
-1.361144
-6.013116
other
Cu2Sn1Hg1S4
8
121
174.86
mp-775232
14.788705
8.123703
-4.669815
other
Li2Cr8P6O24
40
122
450.89
mp-757720
8.796098
3.446137
-7.615397
other
Li4V4C8O24
40
122
508.53
mp-1198930
9.421306
6.947347
-3.645304
other
Li4Ga4Se8O24
40
122
577.21
mp-696744
9.087902
6.928792
-5.290694
other
P2H4N2O8
16
122
219.21
mp-5990
13.806875
4.119859
-2.305383
other
Cs2Li2B12O20
36
122
521.11
mp-559155
10.365622
12.632782
-3.403211
other
Li2Mg8V6O24
40
122
464.02
mp-1220066
12.394903
6.537165
-5.14721
other
P4Pb8S2O24
38
122
608.24
mp-1228659
-3.323035
-1.713891
-5.467839
other
Ba12Cd4Sn8S32
56
122
1,673.86
mp-559788
5.204662
3.170159
-4.363328
other
Rh8C16Cl8O16
48
122
1,153.94
mp-1202487
8.815393
3.372697
-5.595978
other
In4H12C8O20
44
122
524.08
mp-558555
9.205327
6.9645
-3.572447
other
Li4Fe4Se8O24
40
122
597.69
mp-1223262
10.752192
8.949656
1.842476
other
La12Sb8S6O24
50
122
922.68
mp-1214745
13.660274
6.47001
-5.023812
other
Ba4B2P4O16
26
122
395.69
mp-696752
12.170033
4.87518
-5.132883
other
K2P2H4O8
16
122
200.6
mp-1190812
10.713299
3.344468
-4.321297
other
As2H12N2O8
24
122
227.48
mp-585189
14.318217
7.777448
-6.939646
other
Li2Mn8P6O24
40
122
456.79
mp-758417
14.484279
8.981031
-2.921906
other
Li2V8P6O24
40
122
446.64
mp-23672
10.809189
3.219229
-4.523831
other
P2H12N2O8
24
122
216.88
mp-1215782
10.472886
9.30669
-1.99078
other
Zn2Ga4Te8O24
38
122
595.23
mp-557454
10.530551
12.175431
-3.653543
other
Ba4V8Cu8O32
52
122
704.42
mp-23884
11.838881
5.337109
-3.28856
other
Sr2Ge2H4O8
16
122
187.57
mp-642831
12.191205
4.886405
-5.20885
other
Rb2P2H4O8
16
122
217.75
mp-1216523
8.049316
11.57253
1.230948
other
Y12Ga4Fe16O48
80
122
980.76
mp-26511
12.204803
7.542446
-7.080416
other
Li2Ni8P6O24
40
122
401.76
mp-1217308
7.995243
6.913432
-4.897646
other
Tl2P6N4O24
36
122
655.97
mp-559738
3.036002
2.845597
-4.302409
other
Sb8S8N8Cl40
64
122
1,989.23
mp-1227511
9.67802
10.65523
1.949981
other
Ca4Ce4Mn4O16
28
122
372.23
mp-1227337
12.200392
7.336046
0.991652
other
Ca12Al14O32F2
60
122
880.16
mp-555972
6.478593
4.801557
-4.479055
other
K4C4N12O24
44
122
612.21
mp-541220
10.390427
12.561804
-3.404265
other
Na2Mg8V6O24
40
122
474.23
mp-1211399
11.27048
5.314418
-3.252474
other
K2P2H8O8
20
122
349.01
mp-1179823
10.757665
3.295877
-3.971354
other
P2H16N2O8
28
122
307.15
mp-703470
10.661494
3.303948
-4.364687
other
As2H12N2O8
24
122
233.32
mp-1276652
11.997014
12.597647
0.551501
other
Li8Ti4Cr4O16
32
122
298.53
mp-1208167
10.54724
11.680325
-3.547802
other
V8Ag16Hg8O32
64
122
1,072.66
mp-1211975
10.608572
7.030257
-6.043025
other
K4B2P4O16
26
122
394.97
mp-654105
5.251384
3.160117
-4.440149
other
Rh8C16Cl8O16
48
122
976.51
mp-706913
8.417877
3.923226
-4.530622
other
Be2H16N4O20
42
122
432.44
mp-615537
5.218744
3.390418
-4.349025
other
Pd8C16Cl8O16
48
122
1,092.79
mp-1224262
7.855404
7.961596
-3.992688
other
K4P6N2O24
36
122
648.55
mp-1218648
12.165528
7.321362
1.109594
other
Sr12Al14Cl2O32
60
122
969.79
mp-758740
14.625339
8.106809
-4.90226
other
Li2Fe8P6O24
40
122
435.83
mp-1214733
10.43329
3.117398
-4.140924
other
As2H16N2O8
28
122
316.64
mp-17771
11.856324
6.962429
-4.288224
other
Na2Mg8As6O24
40
122
465.17
mp-1190536
10.874759
3.303116
-4.492872
other
P2H12N2O8
24
122
210.56
mp-1211694
11.431983
5.874133
-4.086632
other
K2As2H4O8
16
122
216.65
mp-1207468
6.921337
2.832289
-4.719369
other
Zn2C8N16O8
34
122
712.11
mp-1227232
12.227145
7.327542
0.940196
other
Ca12Al14Cl2O32
60
122
888.15
mp-568271
-1.291407
0.982611
-3.713872
other
Si4Bi28Rh2I24
58
124
2,302.04
mp-23615
-1.25372
1.043221
-3.714264
other
Si4Bi28Ir2I24
58
124
2,320.18
mp-559781
7.222599
3.351416
-4.800051
other
K2Y2C16O16
36
124
463.21
mp-1210525
4.070272
3.021158
-3.699573
other
P4H16I4N16
40
125
1,138.28
mp-16967
10.503475
12.296061
-3.863153
other
Ca2V8Ag4O24
38
125
562.59
mp-1193609
8.352494
1.214476
-4.28409
other
P2H16I2N8
28
125
470.84
mp-643158
8.653743
1.150413
-4.108373
other
P2H16I2N8
28
125
377.58
mp-1147526
8.428215
9.027496
-0.116547
other
Ba2Cu4Hg4O8
18
125
321.73
mp-505498
8.490292
1.420187
-4.145951
other
P2H16Br2N8
28
125
375.56
mp-571594
-4.665852
-3.031811
-3.864947
other
K6Ag2Sn6Se16
30
125
945.94
mp-560545
11.430046
7.473677
-4.066944
other
Na4Ca2As8O24
38
125
537.81
mp-26855
13.949655
7.070501
-5.959832
other
Li4Sn2P8O24
38
125
458.82
mp-1209884
6.146864
4.056781
-3.847876
other
P4H16Br4N16
40
125
575.09
mp-555885
10.549448
12.28337
-3.821308
other
Sr2V8Ag4O24
38
125
586.49
mp-510558
10.585423
12.320961
-3.720699
other
Rb4Sr2V8O24
38
125
712.93
mp-541522
13.182455
5.979566
-6.648749
other
Na4Ca2P8O24
38
125
478.88
mp-19075
10.585132
12.300641
-3.73527
other
K4Sr2V8O24
38
125
639.41
mp-540951
13.302761
5.962007
-6.549981
other
Na4Sr2P8O24
38
125
502.95
mp-557862
8.74228
8.869871
-1.015303
other
Ba2Ag4Hg4O8
18
125
349.23
mp-571164
-4.669729
-3.026913
-3.826443
other
Rb6Ag2Sn6Se16
30
125
978.16
mp-18975
10.505777
12.297528
-3.748664
other
Na4Sr2V8O24
38
125
589.73
mp-756581
10.041009
11.082253
3.205296
other
Li2Nd2Ti4O12
20
125
229.84
mp-1096847
7.526758
9.821335
-0.833293
other
Ba2Cu4Ag4O8
18
125
295.13
mp-25887
13.626351
7.210375
-6.973727
other
Li4Mn2P8O24
38
125
416.08
mp-21635
12.363928
7.886012
-0.906784
other
Ce2Mn4Ge8O24
38
125
495.78
mp-628185
-4.64501
-3.047065
-3.839133
other
K6Na2Sn6Se16
30
125
966.47
mp-17968
10.426232
12.289405
-3.801749
other
Na4Ca2V8O24
38
125
563.28
mp-758941
13.797847
7.501977
-6.712676
other
Li4Fe2P8O24
38
125
410.45
mp-559424
11.49766
11.118771
-3.931873
other
Rb2Pr2Mo4O16
24
126
406.6
mp-17006
11.559035
11.116244
-3.81915
other
Sm2Tl2Mo4O16
24
126
391.3
mp-17729
11.576043
11.136185
-3.853501
other
Pr2Tl2Mo4O16
24
126
401.83
mp-725643
6.077716
5.444155
-4.414904
other
Co2Ag2N12O16
32
126
468.3
mp-18473
11.450519
11.061914
-3.909683
other
Rb2La2Mo4O16
24
126
414.01
mp-1181889
5.875046
5.217552
-4.328544
other
Co2Ag2N12O16
32
126
465.47
mp-510531
10.979371
10.959408
-3.961839
other
Eu2Tl2Mo4O16
24
126
391.01
mp-1198670
5.999239
5.247376
-4.393437
other
Co2Ag2N12O16
32
126
537.63
mp-560630
11.569303
11.112891
-3.798099
other
Nd2Tl2Mo4O16
24
126
398.99
mp-1193666
-3.21987
-2.036244
-5.212278
other
Ba8In4Te4S10
26
127
809.71
mp-1106047
-8.681344
-1.846772
3.895412
other
Mg4Co2B4Ir10
20
127
258.5