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-1180876
8.968626
14.653975
-0.680204
other
Mn12O16
28
4
495.88
mp-1105118
11.540063
8.041389
-3.005917
other
As8O12
20
4
350.02
mp-31053
-3.998503
-1.171136
-5.316594
other
Ag4S2
6
4
135.06
mp-1389926
7.597283
9.75846
-3.826578
other
Cr4O12
16
4
187.48
mp-1173453
4.486897
3.168326
-4.103024
other
S18N18
36
4
802.71
mp-796339
7.355949
7.501495
-3.772118
other
W4O20
24
4
391
mp-726170
8.163242
1.482609
-0.474199
other
Rb4F12
16
4
308.97
mp-1199402
6.909621
2.459139
-2.884036
other
C216F120
336
4
4,093.95
mp-1074720
-3.737971
-8.392968
7.29471
other
Mg8Si4
12
4
247.11
mp-1097016
7.364545
1.383252
-4.070882
other
H48C84
132
4
1,562.99
mp-866659
7.975544
0.516195
-4.37143
other
H68C38
106
4
809.92
mp-1273390
11.947517
13.615371
-2.321122
other
V8O16
24
4
280.32
mp-1191613
-2.642848
-0.642356
-5.014925
other
As8S16
24
4
584.05
mp-1105762
-7.456521
-3.35393
4.273699
other
U8Ir8
16
4
330.52
mp-1189329
-7.690367
-6.493193
6.805444
other
Y12Co4
16
4
422.1
mp-1880
8.481442
1.981978
0.058964
other
Sb2F6
8
40
125.24
mp-1075502
-2.333811
-5.928598
7.455081
other
Mg10Si12
22
40
397.89
mp-1424734
1.422367
2.229427
-1.108826
other
Ag2N2
4
40
84.28
mp-1404786
0.91088
2.502347
1.524902
other
Co2N2
4
40
54.07
mp-715566
7.560934
9.678357
-3.87126
other
Cr2O6
8
40
123.55
mp-569626
1.430237
2.344969
-5.33038
other
Mg2Cl4
6
40
158.99
mp-1425089
2.138376
2.4219
-0.82557
other
Cu2N2
4
40
61.66
mp-1014342
0.694621
3.056571
1.590988
other
Cr4N8
12
40
251.73
mp-510421
7.582222
9.69847
-3.876482
other
Cr2O6
8
40
115.11
mp-1079230
3.376833
-0.595338
-2.432827
other
Sn2H8
10
40
108.71
mp-554573
15.475487
5.719823
0.355011
other
Si4O8
12
40
180.89
mp-1094038
-3.74389
-0.732651
-4.357542
other
Ta2S6
8
41
131.49
mp-685150
8.4076
1.31935
0.935426
other
Pb2F4
6
41
108.92
mp-27726
6.792467
5.34002
-4.656904
other
S2O4
6
41
104.42
mp-1182120
6.611047
6.077581
-3.776434
other
Br2O6
8
41
165.81
mp-1182115
6.71284
5.986621
-3.661899
other
Br2O6
8
41
122.9
mp-1184928
8.178493
2.31056
-1.08541
other
I2F14
16
41
229.93
mp-570589
-2.910003
-0.670284
-3.961062
original
Se4Br4
8
41
263.3
mp-1175
-3.126285
-1.257848
-5.319799
other
Sr2S6
8
41
201.99
mp-27988
8.085676
2.292191
-1.048009
other
I2F14
16
41
295.29
mp-28099
-2.539113
-0.143642
-4.24509
other
S4Br4
8
41
253.14
mp-1180281
9.641941
10.289673
-3.818854
other
Mo6O20
26
41
405.19
mp-1216501
-6.804503
-1.484542
4.425597
other
V12Ga14
26
42
381.21
mp-1080280
-4.240284
-4.523324
-3.378996
other
Ce1Se2
3
42
352.17
mp-7007
-4.480722
-0.809913
-3.095905
other
Nb1Se2
3
42
130.42
mp-581693
-3.996263
-1.981429
-4.831268
other
Bi12S12
24
42
1,196.51
mp-685145
3.183663
2.464853
0.594258
other
B1N1
2
42
18.95
mp-1222549
-6.800762
-7.033814
3.165998
other
Li18Ag8
26
42
450.33
mp-8954
-4.578757
-0.813676
-2.943399
other
Ta1Se2
3
42
127.02
mp-2648
-4.06156
-0.085013
-3.759922
other
Nb1S2
3
42
112.79
mp-1215735
-9.661229
-4.631603
3.224773
other
Zn20Fe6
26
42
365.21
mp-1225030
-7.598049
-4.112648
4.43411
other
Ga21Ni5
26
42
418.9
mp-555293
-4.061408
-0.085051
-3.760626
other
Nb1S2
3
42
216.99
mp-1411
-4.164156
-0.096417
-3.588403
other
Ta1S2
3
42
110.67
mp-1227244
-7.375109
0.294968
3.786712
other
Fe74W13
87
42
1,047.87
mp-647220
-7.911107
-6.2209
2.399664
other
Cd85Pd27
112
42
2,217.69
mp-22009
-4.375064
-3.336934
-3.96336
other
Pb2Se2
4
42
233.91
mp-600071
15.669557
5.638018
0.399918
other
Si12O24
36
42
663.67
mp-826017
9.752446
10.795936
-3.317181
other
W3O10
13
42
188.31
mp-1040452
-4.241097
-4.523799
-3.380954
other
Ce1Se2
3
42
175.48
mp-1227457
3.441809
2.729213
-4.115086
other
C2Cl6
8
42
251.66
mp-1062643
6.410746
13.256721
-2.295956
other
Co1O2
3
42
59.55
mp-1220009
-8.008971
-5.039357
5.051682
other
Sc22Ga18
40
42
808.37
mp-1193871
5.021017
3.330206
-3.519702
other
Hg4N24
28
45
491.3
mp-1016058
0.693243
3.067338
1.566175
other
Cr4N8
12
46
280.74
mp-1219528
8.111884
8.800564
-3.461988
other
Sb4O14
18
46
286.1
mp-1388402
9.721875
2.508204
-0.160097
other
V2F8
10
46
162.79
mp-1080269
-4.257336
-4.98885
-3.422336
other
Ce4Se8
12
46
966.89
mp-555251
15.637368
5.642951
0.402717
other
Si4O8
12
46
214.59
mp-862998
14.042522
6.184659
-1.113283
other
Si4O10
14
46
193.85
mp-11441
-6.796125
-3.510794
4.507405
other
Hf4Ga6
10
43
173.04
mp-1190257
-4.524287
-2.762657
-3.573213
other
Ge6Se12
18
43
588.26
mp-27253
7.776077
10.383035
-1.268948
other
Au4O6
10
43
132.65
mp-2321
-6.875914
-4.369368
5.497584
other
Tb6Ge10
16
43
343.73
mp-8943
8.347587
2.234678
-0.931726
other
Pt2F8
10
43
126.28
mp-655461
-6.014119
-7.075261
3.593051
other
Sr8In8
16
43
551.01
mp-15339
-4.802944
-5.196272
0.472943
other
Sr6As8
14
43
404.25
mp-1213908
-7.017336
-4.65806
5.172662
other
Ce6Ge10
16
43
370.18
mp-754585
10.250834
12.225554
-4.232411
other
V4O10
14
43
251.64
mp-1080349
-4.281888
-4.239931
-3.356999
other
Ce6Se12
18
43
540.89
mp-546190
7.115053
9.701365
-1.783552
other
Ag4O6
10
43
124.78
mp-1104668
-4.958289
-5.06074
0.393767
other
Eu6As8
14
43
370.86
mp-1482
-6.234405
-3.246927
4.915849
other
Zr4Al6
10
43
185.75
mp-14289
-3.394615
-4.505181
0.923242
original
Ba6P8
14
43
430.27
mp-568153
-6.49481
-1.913832
5.921458
other
Al44Mo10
54
43
818.4
mp-542613
-3.619361
-1.393656
-5.60224
other
Ge12S24
36
43
960.65
mp-685008
-4.547809
-5.723861
1.19168
other
Ba40As26
66
43
2,543.39
mp-1214300
7.120114
2.445108
-2.879973
other
C36F24
60
43
707.67
mp-580126
-6.853343
-4.448797
5.471767
other
Sm6Ge10
16
43
361.05
mp-1221574
6.899297
7.919408
-2.838668
other
Mn2O4
6
43
518.42
mp-1207476
-3.338262
-3.803834
0.504144
other
Zn14P20
34
43
628.89
mp-2452
13.496165
7.121062
-6.248773
other
P4O10
14
43
173.54
mp-505577
-6.931566
-4.374277
5.497289
other
Dy6Ge10
16
43
340.25
mp-569272
-4.106895
-2.837604
-4.192982
other
Cs4Se2
6
43
309.89
mp-2015
-6.853478
-4.460243
5.410831
other
Nd6Ge10
16
43
374.63
mp-14288
-3.499534
-4.437284
0.680731
other
Sr6P8
14
43
366.18
mp-28096
-0.10384
1.30133
-4.353604
other
S8Cl8
16
43
465.55
mp-846
-6.29308
-3.145121
5.103611
original
Hf4Al6
10
43
178.78
mp-542748
-6.95822
-4.398993
5.524041
other
Ho6Ge10
16
43
335.75
mp-1211671
-6.942206
-4.593724
5.428016
other
La6Ge10
16
43
400.54
mp-567378
-3.536395
-4.313519
0.81956
other
Ba10P18
28
43
785.96
mp-760432
7.073289
10.917351
-1.231919
other
Cu4O6
10
43
97.66
mp-13868
8.468048
1.971566
-0.782936
other
Pd2F8
10
43
123.88
mp-17118
-6.842726
-4.498712
5.559445
other
Y6Ge10
16
43
344.18
mp-1209801
-6.749954
-4.349009
5.30107
other
Pr6Ge10
16
43
383.66