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-1103897
5.077331
3.203216
-3.426764
other
Zn2N12
14
1
210.28
mp-1074588
-2.822448
-7.484704
7.508599
other
Mg16Si12
28
1
555.18
mp-1244929
11.074654
11.107038
-2.820764
other
W25O75
100
1
1,709.02
mp-684860
-2.784502
-2.821435
-5.193427
other
Sm39S56
95
1
2,144.18
mp-684747
9.569747
8.562956
-0.543363
other
Bi64O96
160
1
2,829.97
mp-1218141
11.104893
11.966053
2.737673
other
Ta2O5
7
1
107.41
mp-684619
-3.981022
-4.279719
-3.687568
other
Pr27Se40
67
1
1,826.07
mp-1245096
10.002037
12.146873
-4.243776
other
V30O75
105
1
1,723.16
mp-1073545
-3.039494
-5.169296
6.766022
other
Mg4Si8
12
1
202.45
mp-1406221
-2.803381
-5.731391
6.512979
other
Mg6Si8
14
1
254.09
mp-714851
3.233973
2.515904
0.61306
other
B1N1
2
1
16.5
mp-1245062
-4.660874
-1.813008
-6.716855
other
Zn50S50
100
1
2,372.1
mp-623782
-3.01114
-8.519816
1.506419
other
Eu4Ag4
8
1
7,579.83
mp-1075392
-2.205222
-5.845408
7.380855
other
Mg6Si8
14
1
278.07
mp-1075341
-1.999337
-5.975366
7.511633
other
Mg6Si8
14
1
267.45
mp-1245250
12.666428
7.773647
0.611579
other
Al38O21
59
1
1,385.46
mp-1074388
-2.844132
-7.394924
7.604096
other
Mg16Si12
28
1
539.26
mp-685044
-3.073992
-2.049349
-5.060883
other
Yb16S29
45
1
1,113.77
mp-1075217
-2.4911
-5.642836
7.254145
other
Mg6Si8
14
1
250.02
mp-1074820
-3.246294
-7.862457
7.475829
other
Mg14Si8
22
1
443.17
mp-1244995
2.618112
2.530866
1.217585
other
Ga50N50
100
1
1,481.65
mp-1247839
12.860989
7.425097
0.664565
other
Al32O48
80
1
882.34
mp-1244916
2.640917
2.626742
1.11061
other
Ga50N50
100
1
1,567.78
mp-1356631
10.22871
9.748208
-0.77497
other
Sb12O24
36
1
687.48
mp-1244945
15.335551
5.712942
0.210356
other
Si30O60
90
1
1,437.58
mp-1245099
6.641191
11.184251
-1.824144
other
Co30O60
90
1
1,148.68
mp-680260
-4.83785
-2.473204
2.542769
other
Ti45Se16
61
1
1,009.33
mp-1245201
-4.672667
-1.799082
-6.716301
other
Zn50S50
100
1
2,358.2
mp-1245324
12.782361
9.970762
2.02501
other
Ti50O50
100
1
1,219.7
mp-1245251
12.645609
7.461532
0.626732
other
Al40O60
100
1
1,047.9
mp-1245076
10.936131
9.122896
0.29066
other
Sn40O40
80
1
1,801.98
mp-1075717
-2.555247
-5.429665
7.111874
other
Mg10Si18
28
1
517.23
mp-1075612
-2.615902
-5.40339
7.074732
other
Mg10Si18
28
1
504.44
mp-1075655
-2.634101
-5.371733
7.099819
other
Mg10Si18
28
1
505.08
mp-1075253
-2.130471
-5.835916
7.443612
other
Mg12Si16
28
1
514.26
mp-1074849
-3.285571
-7.950474
7.475038
other
Mg14Si8
22
1
440.05
mp-1074279
-2.953049
-7.462862
7.591531
other
Mg8Si6
14
1
261.28
mp-1245121
-4.690063
-1.799819
-6.719474
other
Zn50S50
100
1
2,400.9
mp-664980
-3.489438
-4.308907
0.69825
other
K8P12
20
1
594.27
mp-1245267
11.192959
11.104977
-2.766056
other
W25O75
100
1
1,792.15
mp-1096899
0.639161
3.145262
1.544708
other
Cr4N8
12
1
169.26
mp-1244919
12.605567
5.726401
-1.799123
other
Be50O50
100
1
826.63
mp-1245104
12.753405
7.378617
0.707202
other
Al40O60
100
1
1,122.82
mp-1074349
-2.830245
-7.437465
7.470719
other
Mg8Si6
14
1
281.33
mp-655446
-3.149207
-0.668906
-4.637008
other
V1S2
3
1
132.16
mp-1074553
-2.843868
-7.427393
7.567605
other
Mg16Si12
28
1
534.97
mp-1244978
10.16056
12.166624
-4.201008
other
V30O75
105
1
1,936.93
mp-1074611
-2.892143
-7.525718
7.48648
other
Mg8Si6
14
1
274.8
mp-1074380
-2.859643
-7.415976
7.401063
other
Mg8Si6
14
1
288.06
mp-1245039
17.32251
9.546076
7.808095
other
Mg40O40
80
1
911.73
mp-1244894
9.702425
9.84171
-0.368864
other
Sn34O68
102
1
1,454.15
mp-684691
-4.136177
-4.295252
-3.658764
other
Tm23Se32
55
1
1,474.39
mp-1195198
4.993569
0.147775
-3.183137
other
H24S8
32
1
447.61
mp-1244996
10.051792
12.149354
-4.299101
other
V30O75
105
1
1,971.64
mp-1244870
0.801257
1.524916
2.815535
other
Ta50N50
100
1
1,251.74
mp-1075418
-2.132185
-5.900749
7.45599
other
Mg10Si12
22
1
409.81
mp-1075013
-2.097813
-5.941075
7.353896
other
Mg6Si8
14
1
276.08
mp-1244892
12.728724
7.374625
0.677382
other
Al40O60
100
1
1,085.15
mp-1245247
11.330844
12.913631
-0.593441
other
Cr32O48
80
1
939.42
mp-1074545
-2.873132
-7.445494
7.532138
other
Mg16Si12
28
1
544.72
mp-1245274
-4.763783
-4.837941
0.069947
other
Ga50As50
100
1
2,346.23
mp-974002
8.194249
2.894237
-1.049202
other
O2F6
8
1
102.65
mp-1075311
-2.053528
-5.89366
7.467183
other
Mg6Si8
14
1
263.68
mp-1073929
-2.642618
-7.022315
7.499217
other
Mg12Si10
22
1
440.87
mp-1075742
-2.586903
-5.405158
7.10946
other
Mg10Si18
28
1
508.68
mp-1074095
-3.371835
-8.058486
7.464349
other
Mg18Si10
28
1
542.87
mp-1245287
2.929991
2.405849
1.682918
other
Si45N60
105
1
1,214.58
mp-1074923
-3.264297
-7.917443
7.484889
other
Mg14Si8
22
1
440.69
mp-1245128
17.056362
9.417443
7.743025
other
Mg40O40
80
1
949.36
mp-1245125
10.947756
10.713961
-3.795985
other
Mo25O75
100
1
2,050.91
mp-1245209
10.277699
8.996131
0.089022
other
Zn40O40
80
1
1,085.01
mp-1245199
-4.649129
-1.78875
-6.676315
other
Zn50S50
100
1
2,378.48
mp-1245252
3.656886
2.718966
-2.753866
other
Sb50N50
100
1
4,027.72
mp-1074094
-2.525611
-5.428569
7.122005
other
Mg8Si14
22
1
405.31
mp-1245309
12.563442
9.317146
2.318371
other
Ti68O34
102
1
1,393.83
mp-32854
9.636698
4.410976
-4.164145
other
H11O8
19
1
205.94
mp-1245186
12.559555
9.300561
2.29212
other
Ti68O34
102
1
1,387.41
mp-1244963
12.628965
5.729305
-1.746769
other
Be50O50
100
1
830.08
mp-1245270
13.418485
4.44089
-2.493004
other
B40O60
100
1
1,424.03
mp-1395134
9.242353
2.551243
0.526711
other
Mo2F8
10
1
145.61
mp-1224298
-8.038624
-3.779479
2.832603
other
In9Pt12
21
1
383.65
mp-1244970
12.747459
7.386298
0.679435
other
Al40O60
100
1
1,109.45
mp-1245018
11.915992
8.105494
-0.027921
other
Ga32O48
80
1
1,053.83
mp-1245110
12.72473
7.871087
0.604425
other
Al36O18
54
1
1,381.98
mp-1075421
-2.421394
-5.956697
7.458065
other
Mg10Si12
22
1
403.42
mp-1244920
10.069848
12.181608
-4.29096
other
V30O75
105
1
1,930.72
mp-1245069
2.620857
2.732506
0.914811
other
Ga50N50
100
1
1,677.61
mp-1244922
-4.70322
-1.798942
-6.758753
other
Zn50S50
100
1
2,393.49
mp-1075609
-2.646801
-5.371593
7.067675
other
Mg10Si18
28
1
500.62
mp-1073134
-2.078677
-5.854349
7.439463
other
Mg8Si12
20
1
375.44
mp-1244647
-2.238912
-5.788043
7.378545
other
Mg6Si8
14
1
267.97
mp-1389247
-2.447133
-6.030403
6.350509
other
Mg8Si6
14
1
276.2
mp-1245027
9.474071
9.774246
-0.39815
other
Sn30O60
90
1
1,245.46
mp-696588
4.013061
-0.303803
-2.4769
other
P4H12
16
1
395.67
mp-673649
-3.815981
-1.279659
-3.811971
other
Zr23S32
55
1
1,112.91
mp-1096901
0.739589
2.851945
1.739367
other
Cr4N8
12
1
203.22
mp-1073395
-2.784787
-5.307423
6.953498
other
Mg8Si16
24
1
418.86
mp-661384
13.352098
7.151301
-6.322464
other
P4O10
14
1
187.95
mp-1245185
13.533139
4.37947
-2.485839
other
B40O60
100
1
1,324.45
mp-1184796
9.412984
2.496013
-2.539233
other
H6F4
10
1
107.9