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-2214915
9.301209
13.284421
-2.195593
other
Cr4O8
12
20
135.76
mp-28880
-1.706691
2.660561
-4.925589
other
W24Br56
80
201
2,852.95
mp-1210857
-7.488983
-10.088799
4.449311
other
Mg52Ag14
66
202
1,388.18
mp-2789
6.090299
5.118732
-4.440055
other
N6O12
18
204
229
mp-1189239
0.85807
2.407139
1.213355
other
Pd12N4
16
204
239.08
mp-1193911
-6.03988
-7.381073
4.55096
other
Yb19Mg8
27
204
951.14
mp-8182
-6.056825
-2.525655
0.742922
other
As12Rh4
16
204
307.13
mp-2118
0.851929
2.37967
1.777755
other
Rh4N12
16
204
144.26
mp-16791
5.64002
2.215534
-2.903122
other
K6C60
66
204
768.5
mp-550
-6.568678
-2.766809
6.559067
original
Al12Mo1
13
204
213.22
mp-1179977
8.31632
9.43885
-1.104192
other
Nb4O12
16
204
251.23
mp-1199166
-5.589361
-1.479907
4.718959
other
Be68Os12
80
204
717.1
mp-1648
-6.366549
-3.149991
6.441978
other
Al12Re1
13
204
209.06
mp-1021512
7.800785
5.598909
-3.218334
other
Lu4O12
16
204
207.02
mp-1021498
-4.157724
-2.589977
0.87949
other
P12Pd4
16
204
277.96
mp-1182736
5.739617
2.426084
-3.029846
other
Eu6C60
66
204
986.49
mp-1106023
-6.299491
-3.593874
0.827743
other
Ni4Sb12
16
204
387.5
mp-569900
-9.317766
-5.98443
4.26975
other
Sc12Zn68
80
204
1,314.33
mp-581000
5.679307
2.330112
-2.863758
other
Eu6C60
66
204
662.59
mp-2301
-4.732524
-1.776792
1.083555
other
Ni4P12
16
204
236.23
mp-18027
5.662439
2.298573
-2.812886
other
Ba6C60
66
204
723.01
mp-1179774
-4.058789
-6.934834
1.695824
other
Rb12Pd4
16
204
859.88
mp-13853
-5.017267
-2.010202
1.053437
other
P12Ir4
16
204
260.22
mp-1211954
0.926302
2.446581
1.543216
other
Ir4N12
16
204
161.89
mp-557865
6.219485
5.248611
-4.552574
other
N6O12
18
204
314.84
mp-1104165
-6.508133
-2.878223
6.279908
other
Mn1Al12
13
204
202.95
mp-1944
-4.750156
-1.590065
0.724328
other
Co4P12
16
204
226.77
mp-756478
10.49644
11.184619
-3.063943
other
W4O12
16
204
212.28
mp-2395
-6.425089
-3.570788
0.768028
other
Sb12Rh4
16
204
403.52
mp-30443
-5.641015
-1.385256
4.557706
other
Be68Ru12
80
204
715.89
mp-1239
-6.436486
-3.411155
0.77033
other
Sb12Ir4
16
204
405.68
mp-452
-6.141964
-2.188722
0.76458
other
Co4As12
16
204
275.5
mp-971669
-6.276541
-3.496579
0.713665
other
Fe4Sb12
16
204
384.73
mp-1357
-4.883534
-1.916811
1.027955
other
P12Rh4
16
204
257.88
mp-540912
-6.052419
-2.588587
0.714526
other
As12Ir4
16
204
309.09
mp-1202230
-9.207617
-6.120174
4.289984
other
Yb12Zn68
80
204
1,408.46
mp-1721
5.648488
2.21815
-2.895113
other
Cs6C60
66
204
867.81
mp-1001011
8.187259
9.073892
-1.418302
other
Ta4O12
16
204
247.43
mp-22762
0.902577
2.483621
1.662939
other
Co4N12
16
204
122.51
mp-568335
-7.287985
-7.559556
1.651443
other
Cs6Hg81
87
204
2,512.4
mp-16975
5.655565
2.219442
-2.905245
other
Rb6C60
66
204
809.55
mp-17674
5.647213
2.330474
-2.852709
other
Sr6C60
66
204
677.11
mp-1237229
10.425813
11.007951
-2.184561
other
Re4O12
16
204
215.26
mp-754430
8.504718
14.829831
-1.378989
other
Mn7O12
19
204
188.37
mp-1317
-6.345405
-3.373743
0.760513
other
Co4Sb12
16
204
371
mp-1181293
6.924779
8.362599
-2.949948
other
Ga4O12
16
204
174.06
mp-17420
5.709042
2.426935
-2.864455
other
Sm6C60
66
204
634.77
mp-16719
-6.517447
-3.030207
6.478488
other
Al12Tc1
13
204
208.33
mp-20741
10.481894
11.013342
-2.127615
other
Re4O12
16
204
212.81
mp-11227
-6.50702
-2.556165
6.45024
other
Al12W1
13
204
213.56
mp-1196139
-5.569747
-6.085149
0.586236
other
Mg24Sb16
40
206
1,177.54
mp-776475
12.606962
7.458851
0.400572
other
Al16O24
40
206
349.56
mp-1045
9.696251
8.392921
3.106942
other
Nd16O24
40
206
689.05
mp-1202811
2.016192
1.939336
1.607307
other
Tm16N24
40
206
623.21
mp-569957
1.851703
2.377116
0.907058
other
Cd24N16
40
206
666.72
mp-504886
9.731359
8.4061
3.045886
other
Gd16O24
40
206
630.91
mp-771359
7.071548
11.103893
-1.102774
other
Cu16O24
40
206
389
mp-844
1.73681
1.727654
1.279858
other
Ca24N16
40
206
747.41
mp-16705
9.638238
8.485813
3.048472
other
Pr16O24
40
206
710.2
mp-18337
2.454024
2.402635
1.353344
other
Be24N16
40
206
268.44
mp-579224
-2.434791
-0.327448
-5.225647
other
P32S72
104
206
3,341.86
mp-1658
7.211396
9.416874
-1.48892
other
Tl16O24
40
206
598.42
mp-9460
1.980061
2.176711
1.519584
other
Zn24N16
40
206
460.78
mp-21579
13.194875
12.725698
-0.878652
other
V16O24
40
206
438.8
mp-1990
-4.950423
-5.042668
0.299889
other
Mg24As16
40
206
944.61
mp-1204171
2.100505
2.006425
1.40802
other
Tb16N24
40
206
671.47
mp-679
10.216739
8.376094
3.178871
other
Er16O24
40
206
571.32
mp-1014318
0.228271
2.114985
2.249037
other
Cr24N16
40
206
382.69
mp-986716
1.61513
1.712246
1.33882
other
Sr24N16
40
206
942.4
mp-18529
-2.704856
-2.768626
-5.589382
other
Tm16S24
40
206
973.23
mp-776873
11.374491
13.143152
-0.169506
other
Cr16O24
40
206
399.88
mp-1200511
2.114756
2.04006
1.446169
other
Lu16N24
40
206
597.21
mp-1197170
-3.252053
-3.911053
0.59629
other
Zn24P16
40
206
729.02
mp-637224
11.459884
8.908809
2.702756
other
Pu16O24
40
206
659.82
mp-22598
10.385172
9.037754
0.228944
other
In16O24
40
206
526.98
mp-812
10.017118
8.304973
3.182106
other
Ho16O24
40
206
582.8
mp-567841
-3.835466
-3.866316
1.061392
other
Be24P16
40
206
529.73
mp-1214623
1.485083
1.613377
1.330964
other
Ba24N16
40
206
1,128.71
mp-555497
14.35093
6.029569
-0.257188
other
Si24O48
72
206
883.5
mp-619061
-3.134161
-2.066177
-5.073465
other
Yb16S24
40
206
1,057.57
mp-22387
1.447192
1.386224
2.589904
other
U16N24
40
206
615.06
mp-2814
7.355308
8.626093
-1.736978
other
Yb16O24
40
206
614.46
mp-542313
11.384705
8.733606
2.276987
other
Ce16O24
40
206
700.76
mp-2514
-3.293567
-4.241159
0.653223
other
Mg24P16
40
206
866.29
mp-1559
2.192124
2.199277
1.496984
other
Mg24N16
40
206
489.83
mp-553921
10.030055
8.515265
3.124492
other
Pm16O24
40
206
667.43
mp-1767
10.11844
8.357073
3.177045
other
Tm16O24
40
206
560.16
mp-510604
8.762274
14.996462
-0.895325
other
Mn32O48
80
206
835.8
mp-1205065
2.049526
2.023803
1.488528
other
Dy16N24
40
206
659.56
mp-1096432
-4.301889
-4.866147
-3.39059
other
Ce24Se48
72
206
3,584.57
mp-1427
10.173364
8.489468
3.209292
other
Lu16O24
40
206
540.26
mp-2345
10.02159
8.356248
3.209469
other
Dy16O24
40
206
594.56
mp-1197202
-3.669616
-4.42389
0.841592
other
Cd24P16
40
206
980.59
mp-2292
9.621896
8.448732
2.924482
other
La16O24
40
206
733.05
mp-565814
8.394123
13.378242
-1.188453
other
Fe16O24
40
206
436.33
mp-1203025
1.625339
1.616796
2.170586
other
Np16N24
40
206
610.04
mp-218
9.867291
8.358948
3.036229
other
Sm16O24
40
206
654.35
mp-216
10.7056
8.617343
3.194082
other
Sc16O24
40
206
479.73
mp-555740
14.9621
5.911168
0.090592
other
Si8O16
24
206
301.36
mp-2652
10.032841
8.506468
3.159213
other
Y16O24
40
206
596.83