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-1029860
1.223383
2.009194
1.484479
other
Ca10Ru4N12
26
15
401.88
mp-768848
11.280381
11.256103
-2.630793
other
Tb4W6O24
34
15
484
mp-1246838
0.277968
2.280928
2.131164
other
V4Co6N8
18
15
169.95
mp-752525
9.136016
0.779991
0.610607
other
Li4Ag4F8
16
15
219.15
mp-28810
-2.311203
-0.820428
-5.298879
other
Na4C2S6
12
15
267.87
mp-556583
8.452393
1.774504
0.530312
other
Cs2Sb4F14
20
15
356.93
mp-725977
-3.417281
-1.230431
-5.51845
other
K4Hg2S8
14
15
398.9
mp-1246356
5.486495
2.299441
-2.985962
other
Re4C6N12
22
15
233.47
mp-31039
9.389157
7.902611
-1.905319
other
Rb12Te4O18
34
15
705.46
mp-756251
1.096981
1.564844
-5.09271
other
Ba4La2Cl14
20
15
570.66
mp-760184
10.852134
12.353835
2.263374
other
Na8Ti10O24
42
15
520.52
mp-1078456
-4.24275
-2.730541
-3.782905
other
K4Se4N2
10
15
302.61
mp-654301
14.04136
5.758534
-7.398979
other
Nb10P14O60
84
15
1,209.97
mp-1181307
6.709824
6.345484
-3.597276
other
La2Co2O6
10
15
680.6
mp-759458
9.916385
2.901628
1.913326
other
Li2V4F10
16
15
203.1
mp-754250
9.724126
8.498531
3.320265
other
Na4Lu4O8
16
15
199.91
mp-752717
11.630429
7.145351
0.834629
other
La8Si4O20
32
15
492.33
mp-1223417
11.435327
11.034876
-3.995505
other
La4Mo6O24
34
15
512.83
mp-1214017
7.519667
7.2273
-4.304412
other
Ca2Si2O10
14
15
181.38
mp-31124
10.528382
10.652356
0.295108
other
Y8Mo4O24
36
15
458.29
mp-821432
7.466824
5.132704
-5.254612
other
Ni2C8O12
22
15
300.29
mp-1203866
9.132423
7.68951
-2.049541
other
Pb32Cl16O28
76
15
1,682.35
mp-1247359
5.187393
2.207216
-3.116749
other
Ru4C6N12
22
15
244.36
mp-1211251
1.58144
2.569251
-4.694574
other
K2Ta2Cl12
16
15
437.58
mp-849734
9.919763
2.453601
1.610552
other
Li2V2F8
12
15
168.84
mp-1246460
1.23021
1.956727
1.494093
other
Sr8Ru4N12
24
15
391.65
mp-772640
10.864212
11.354817
-2.626672
other
Ga8W4O24
36
15
452.77
mp-704325
11.450459
11.065978
-4.020149
other
Gd16Mo28O108
152
15
2,441.42
mp-1246230
0.245268
2.60681
1.907215
other
Fe4Co6N8
18
15
161.83
mp-565836
8.850432
6.85591
-5.461421
other
Mo12S12O72
96
15
1,443.41
mp-28356
-3.073191
-2.433177
-4.197438
other
U12Cu4S26
42
15
877.25
mp-26140
10.383501
8.192371
-6.786134
other
Cr4P8O28
40
15
473.4
mp-1181984
6.597169
4.863562
-4.634411
other
Co2C2O6
10
15
239.14
mp-1394463
8.452603
1.670292
0.940746
other
Ca2Sb2F10
14
15
255.6
mp-654139
10.262413
11.152877
3.212712
other
Nd4Ti8O22
34
15
417.79
mp-865105
-7.87788
-2.477316
5.294686
other
Dy4Co6Ge10
20
15
319.39
mp-1282714
13.10482
12.117885
-0.18807
other
Al4V8O16
28
15
295.28
mp-32343
9.84469
7.855281
-6.388738
other
Ni2P8O24
34
15
447.81
mp-1198413
6.998322
6.526306
-4.287469
other
Mg8S2O36
46
15
689.78
mp-753089
9.576437
0.604291
-0.465171
other
Li2Cu4F12
18
15
202.57
mp-1247566
2.231147
1.933292
1.469128
other
Ca10Ge4N12
26
15
401.11
mp-1199810
10.758418
10.822938
-3.905249
other
Hf6Mo12O48
66
15
1,070.35
mp-772073
10.782869
11.842301
2.595865
other
Li4Nb8O22
34
15
430.03
mp-505400
8.511351
1.467024
1.13132
other
Ba2Zr4F20
26
15
398.41
mp-27892
7.298982
0.387378
-3.836597
other
B20H44N8
72
15
595.32
mp-31013
13.399991
4.848553
-2.344778
other
U2B4O12
18
15
230.13
mp-1247501
1.958026
1.669576
1.575931
other
Ca6Y4N8
18
15
309.27
mp-25964
10.486108
7.961135
-6.832071
other
Fe2P8O24
34
15
450.84
mp-1106021
-8.008146
-3.024575
4.528303
other
Tm4Ge10Rh6
20
15
359.73
mp-1246290
0.268085
2.354429
2.140022
other
Cr4Co6N8
18
15
165.01
mp-31022
-5.909372
-2.261877
5.51498
other
Hf8Si16Ru12
36
15
537.28
mp-752728
10.015165
4.428732
-6.795944
other
Rb4S4O14
22
15
359.35
mp-1246234
0.788666
2.227275
2.014329
other
Mg6V4N8
18
15
206.68
mp-771887
10.477158
10.727681
0.656122
other
Tm8W4O24
36
15
453.73
mp-768204
-4.905596
-0.894389
-5.278992
other
Li8Fe8S12
28
15
490.45
mp-1330148
8.658698
13.151555
-1.270881
other
K2Fe22O34
58
15
747.74
mp-675680
9.60304
9.825488
-0.845709
other
Sr4Sb8O24
36
15
555.19
mp-25278
9.888319
4.922172
-7.037436
other
V4S6O24
34
15
426.1
mp-1046357
11.119184
11.107313
-2.734588
other
Ta4W2O16
22
15
317.16
mp-1191802
7.275241
5.124056
-5.211483
other
Mg2C8O12
22
15
317.9
mp-1105963
8.17781
6.60463
-5.422396
other
Cd4S2O12
18
15
270.87
mp-1246077
2.31285
2.188894
1.663091
other
Mg10Ge4N12
26
15
344.49
mp-1193606
-5.774182
-3.69171
-1.842441
other
Cs12Ge4Te12
28
15
1,287.81
mp-1045799
10.0721
8.023521
-6.637227
other
Co2P8O24
34
15
456.28
mp-25976
12.209414
7.535049
-7.033265
other
Cu2P4O12
18
15
214.92
mp-2675517
12.191872
10.821789
-1.593781
other
W2O4F2
8
15
125.7
mp-753497
-3.6767
-1.053142
-5.534819
other
Li6Ti2S6
14
15
226.85
mp-1245528
5.422997
2.29464
-3.142583
other
Fe4C8N12
24
15
263.8
mp-1211856
7.72065
5.546328
-5.306411
other
K8C4O18
30
15
475.96
mp-1246971
0.734801
2.310109
1.938506
other
Y4Co6N8
18
15
213.72
mp-29244
-3.233485
-3.854534
0.41204
other
Cd4P6I2
12
15
297.95
mp-1209079
12.147191
6.919385
0.569263
other
Sc8Si4O20
32
15
376.18
mp-1246023
1.072812
2.288294
2.040746
other
Mg6Cr4N8
18
15
202.02
mp-1246470
2.156812
2.158713
1.38421
other
Ga4Sb8N12
24
15
415.19
mp-1209416
1.266925
2.29826
-5.800732
other
Rb12Er4Cl24
40
15
1,275.95
mp-760255
9.893451
0.452282
-0.129742
other
Li18Cu6F36
60
15
585.02
mp-1196268
11.830672
6.644788
-0.956501
other
Ca12Si12O38
62
15
907.3
mp-542905
10.285625
10.700405
-3.880996
other
Eu4Mo6O24
34
15
473.15
mp-768507
8.272079
6.459169
-5.491875
other
Cu4S6O24
34
15
439.41
mp-731639
8.297493
9.371768
-3.758333
other
Ca4Re8O40
52
15
932.18
mp-1180429
7.446946
6.227499
-4.389289
other
Na4B8O34
46
15
815.42
mp-1024049
-4.937895
-3.045931
-4.056623
other
Na8Zn8Se12
28
15
648.95
mp-1120785
9.755296
2.571801
1.835149
other
Na16V16F56
88
15
1,209.07
mp-1103656
12.960199
9.634871
1.696603
other
Nb4O4F6
14
15
184.96
mp-804970
7.395315
5.058693
-1.837628
other
Na8Co4O12
24
15
247.48
mp-757808
13.273701
7.10922
-6.478416
other
Sb2P8O24
34
15
478.59
mp-17534
-8.022141
-3.046026
4.620355
other
Ho4Ge10Rh6
20
15
350.79
mp-569862
-4.283055
-2.491943
-3.432594
other
Rb8P4Se18
30
15
1,004.18
mp-568443
1.821092
2.33242
-4.941937
other
Al4V2Cl16
22
15
603.89
mp-3751
9.111604
1.044371
1.481112
other
Al2Tl2F8
12
15
162.31
mp-558399
13.81537
8.082028
-6.369581
other
P6Ru2O18
26
15
338.94
mp-752516
10.944482
0.981754
1.968267
other
Mn12O6F12
30
15
393.69
mp-32303
14.179291
7.582221
-5.654988
other
Nb2P8O24
34
15
450.65
mp-28068
0.759515
1.148372
-3.800858
other
Li2Dy4Cl10
16
15
360.86
mp-1213891
1.28516
2.509551
-6.088511
other
Cs12Pr4Cl24
40
15
1,497.44
mp-770535
11.144031
8.051155
-7.67023
other
Mn4P8O26
38
15
512.62
mp-1181119
8.52893
8.351558
-1.456855
other
Hg8Cl4O4
16
15
432.04
mp-22136
12.129621
7.850862
-1.666451
other
Co4Ge4O12
20
15
219.54
mp-1176407
8.647451
11.815503
-0.649782
other
Na4Co6O8
18
15
234.19
mp-1045821
13.46694
8.079594
-6.149209
other
Mo2P8O24
34
15
479.59