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-1201107
7.760368
0.990688
-3.997213
other
Zn2B20H52O16
90
15
822.91
mp-1042857
13.26989
8.556882
-0.772665
other
Mg2Ti2Ge4O12
20
15
231.05
mp-24296
9.045266
3.581633
-5.599813
other
Co4H16C8O24
52
15
529.8
mp-703476
10.092449
2.281651
-4.323239
other
P4H32N8O14
58
15
515.01
mp-753412
8.257497
13.36724
-0.792473
other
Li16Ti4Cr4O24
48
15
429.79
mp-1373844
13.648932
8.836971
-0.796201
other
Mg2Si4W2O12
20
15
218.72
mp-1199848
10.580238
4.244721
-5.916439
other
Dy4H8S6O24
42
15
505.81
mp-758085
14.163305
7.896472
-6.752811
other
Li2V2P8O24
36
15
497.65
mp-1214535
7.560427
10.38574
1.077393
other
Ba6Nd2Ir4O18
30
15
468.33
mp-1042259
12.253522
10.672481
2.287105
other
Ca4Ti2Nb4O16
26
15
324.05
mp-19349
11.83222
7.143506
-1.865416
other
Na2Mn2Si4O12
20
15
221.6
mp-6412
12.269599
7.145393
-7.358791
other
Li4Cu2P4O14
24
15
307.62
mp-1179599
10.172244
5.178347
-4.392306
other
V4Ni2H16O20
42
15
430.33
mp-1195350
-6.074883
-3.558243
-2.093214
other
Cs8Cd8In8Te24
48
15
2,051.98
mp-1046105
12.279297
11.260293
1.849703
other
Ta8V4Zn8O32
52
15
619.23
mp-861137
11.946751
7.664473
-7.04782
other
Li2Ni8P6O24
40
15
431.09
mp-759290
12.792742
6.48282
-6.236362
other
Li6Bi4P6O24
40
15
549.8
mp-1196841
7.303974
6.898008
-4.37931
other
Na2Al2S4O38
46
15
777.19
mp-24230
8.240986
2.510755
-4.847794
other
H6C6N6O6
24
15
266.91
mp-825375
10.157044
7.927764
-1.916347
other
V4Pb28Cl8O34
74
15
1,452.83
mp-1204064
11.438663
7.294838
-5.932421
other
Cu6Ag10P8O32
56
15
711.67
mp-558688
13.481834
4.515683
-1.495625
other
Ba4Sc4B8O22
38
15
484.52
mp-14354
13.090158
5.642909
-6.016678
other
Rb4Sr2P4O14
24
15
407.36
mp-558409
10.804166
10.693115
-2.294845
other
Bi4Te4W6O32
46
15
662.62
mp-1259911
13.538291
7.88252
-0.751899
other
Ti4Zn6Si8O28
46
15
535.83
mp-1203161
11.85551
6.563978
-0.499928
other
Ca20Si10Cl4O40
74
15
1,101.37
mp-1046185
12.080743
10.767115
2.117568
other
Ca8Ta8V4O32
52
15
669.24
mp-1209311
10.90645
10.958622
-3.600318
other
Rb2Gd2Mo4O16
24
15
339.48
mp-6759
12.705833
6.276753
-0.546164
other
Ba4Ga8Si8O32
52
15
795.7
mp-559602
-1.750008
-0.114725
-4.658152
other
Ag2Sb2S32F12
48
15
1,223
mp-776471
8.573066
13.596383
-0.507291
other
Li8Fe4O8F4
24
15
225.94
mp-1204016
9.010397
5.26082
-4.150332
other
Ba2H16I4O24
46
15
501.01
mp-541918
10.347223
9.596261
-2.080305
other
Na4Te8Mo2O24
38
15
577.34
mp-757996
14.215581
7.314557
-6.065079
other
Li2Ti2P8O24
36
15
451.16
mp-1101522
10.685759
8.059216
-7.291725
other
Li4Fe4P8O28
44
15
597.45
mp-6297
11.662509
7.537618
-1.114013
other
Ca2Cu2Ge4O12
20
15
248.71
mp-1250648
13.637939
7.96343
-0.842516
other
Mg6V4Si8O28
46
15
529.28
mp-1194853
-3.756606
-1.506381
-5.841074
other
Cs8In8Hg8S24
48
15
1,510.41
mp-669508
2.543976
2.680005
-4.503666
other
Ta2P4N2Cl24
32
15
887.21
mp-1224462
7.537001
1.119093
-4.443745
other
H8C4Br4Cl4
20
15
489.86
mp-1213479
10.457647
11.421106
-2.465218
other
Dy4Cu2W8O32
46
15
585.02
mp-1198374
9.068622
4.661927
-4.103228
other
Ba4H28Cl8O30
70
15
834.05
mp-1208360
11.054492
11.410714
-2.099857
other
Tb2Tl2W4O16
24
15
334.8
mp-1045676
11.694417
10.599257
1.912091
other
Nb4Zn4Bi2O16
26
15
339.83
mp-698021
9.428801
4.939785
-4.193907
other
Ca2H24I4O28
58
15
581.01
mp-555161
10.100556
9.531037
-2.02281
other
Ni10Te8Cl4O24
46
15
708.21
mp-753291
10.592112
8.19131
-7.188323
other
Li4Mn2P4O16
26
15
303.34
mp-758488
13.731592
8.674207
-5.445041
other
Li2P6W4O26
38
15
555.76
mp-542671
7.766617
6.788918
-3.055806
other
K4Mo2I8O28
42
15
726.39
mp-1190401
-3.289237
-1.688475
-5.400628
other
Ba4Ag4Sb4S12
24
15
664.01
mp-1179522
8.448025
2.059622
-1.002847
other
Si8Pb8O16F48
80
15
1,124.62
mp-26035
11.790607
7.656253
-7.981743
other
Li18Mn6P16O58
98
15
1,163.87
mp-1204842
11.730328
10.949678
-3.398637
other
Ce4Sb4Mo8O36
52
15
900.68
mp-1213809
9.114571
7.665322
-5.739016
other
Co8P8N4O32
52
15
834.21
mp-721584
12.121404
4.491272
-3.17278
other
B10H16N2O24
52
15
589.47
mp-757580
14.212173
7.882733
-5.364791
other
Li2P8W2O24
36
15
482.48
mp-1194446
-3.543138
-1.427613
-5.625132
other
Na10Ag2Ge4S14
30
15
694.55
mp-734299
9.79729
4.458327
-4.768655
other
Ce4H32S6O40
82
15
1,042.94
mp-1193610
7.959101
6.633348
-5.036828
other
Cs2Tl2S4O20
28
15
503.57
mp-757421
13.793641
8.199579
-0.856988
other
Li4Cr6Si6O20
36
15
414.98
mp-26825
11.516218
7.749283
-7.725431
other
Li6Fe4P6O24
40
15
430.92
mp-1318786
6.15512
13.487557
-2.162485
other
Li2Co6Ni2O16
26
15
281.98
mp-634113
10.345385
4.18842
-6.053916
other
Cd4H4S2O12
22
15
257.9
mp-543079
10.467093
7.166326
-0.991587
other
Rb10Si4Ni2O16
32
15
628
mp-1212331
10.814585
3.978515
-4.173972
other
Mg4As4H28O16
52
15
793.45
mp-6595
7.817313
10.272241
1.155935
other
Sr6Cu2Pt2O12
22
15
315.39
mp-1191129
6.596171
6.034977
-3.524939
other
Cs2Mg2Br6O12
22
15
542.82
mp-26617
13.421327
7.748726
-7.542779
other
Li6Cr2P4O16
28
15
280.94
mp-1248625
13.525656
7.180673
-0.807902
other
Mg2Mn2Si4O12
20
15
240.29
mp-1219864
-4.732484
-3.074165
-3.610837
other
Rb6Cu6Bi16Se30
58
15
1,721.49
mp-759973
8.847182
14.521667
-0.071218
other
Li8Mn4O8F4
24
15
225.46
mp-1046669
11.176609
7.849532
-2.449084
other
Mg2Cr2Si2O10
16
15
171.28
mp-1045921
12.347757
10.884642
2.188862
other
Ta4Ti2Zn4O16
26
15
305.25
mp-556491
10.473155
12.307741
-3.741362
other
Na2Li2V4O12
20
15
267.16
mp-1218779
6.817658
11.960217
1.727871
other
Sr4Pr2Mn6O18
30
15
355.27
mp-1044764
13.776442
7.003824
-5.235997
other
Zn4Sn8P8O32
52
15
790.6
mp-556413
12.510651
6.070109
-0.858086
other
Na8Cd4Si6O20
38
15
524.77
mp-640227
10.088225
11.365726
-2.317993
other
K2Eu2W4O16
24
15
343.04
mp-18711
13.195251
6.050297
-6.673484
other
Li2Nd2P8O24
36
15
478.04
mp-1188169
11.320787
7.814175
-1.634025
other
Li2Fe2Ge4O12
20
15
226.29
mp-720334
11.280204
4.144604
-4.496429
other
Na4P4H28O26
62
15
594.63
mp-1198000
6.196534
5.121348
-4.511742
other
Cs4Ce2N10O34
50
15
845.21
mp-1266176
11.207063
7.356372
-2.199081
other
Zn6Si8Ni4O28
46
15
510.44
mp-1104440
-3.013948
-1.038544
-5.563506
other
Rb4Mo2S4O4
14
15
383.52
mp-729483
9.627723
7.933498
-5.969112
other
Cs2Fe6P6O28
42
15
633.31
mp-721758
8.791711
5.481318
-5.905455
other
K4S4N2O12
22
15
356.84
mp-1210714
11.095397
4.267928
-4.247413
other
V4H48S4O40
96
15
915.09
mp-1214458
8.874373
1.008438
1.358216
other
Ba4Al4Cd4F28
40
15
568.45
mp-26199
14.05775
7.999272
-6.976153
other
Li2V2P8O24
36
15
445.61
mp-1199748
8.062124
7.972126
-4.081763
other
Te2Mo12N8O48
70
15
1,279.69
mp-757438
13.700701
7.804226
-0.854698
other
Li8Fe4Si6O20
38
15
426.72
mp-733788
4.007349
3.926198
-4.20089
other
Sr2Sn4Cl12O10
28
15
838.56
mp-561357
0.777292
1.844097
-4.037252
other
Ti4Nb12Cl28O8
52
15
1,207.71
mp-1255447
13.670678
7.614536
-0.8928
other
Zn2Fe2Si4O12
20
15
234.46
mp-1049264
14.63076
8.563219
-3.847819
other
Ca4V8P8O32
52
15
668.33
mp-558822
13.731039
7.812464
-6.653165
other
Na4Fe6P6O24
40
15
454.91
mp-727941
11.337532
7.095584
-1.196082
other
K2Al8Si4O24
38
15
521.97
mp-1204373
11.590462
11.038644
-3.709367
other
Tm4Sb4Mo8O36
52
15
826.66
mp-26907
13.214621
7.541905
-7.203647
other
Li2Cr2P8O24
36
15
433.71
mp-1219781
8.766182
1.739211
0.322747
other
Rb4Mo2O4F8
18
15
321.53