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-616512
-7.829588
-5.837067
6.611393
other
Y12Co8
20
58
457.02
mp-1018789
6.56659
6.00994
-3.828404
other
Li2O4
6
58
57.78
mp-1078278
-4.046614
1.438275
2.837647
other
Cr2B8
10
58
72.95
mp-1182858
6.651599
8.768175
-2.453564
other
Al2O4
6
58
54.05
mp-2319
-5.174136
-1.753693
1.275955
other
P4Os2
6
58
88.65
mp-1018672
-6.239815
-2.05798
0.816984
other
Co2As4
6
58
91.92
mp-569017
-1.110657
2.25254
-3.419281
other
Pd2I4
6
58
217.07
mp-1072104
11.394166
7.784018
-1.298859
other
Ge2O4
6
58
58.23
mp-1080202
0.272993
2.547125
1.634587
other
Fe2N4
6
58
46.18
mp-1901
6.638546
6.042873
-3.807476
other
Na2O4
6
58
78.5
mp-1072088
-3.932102
-0.213389
-4.57722
other
Ti2S4
6
58
113.67
mp-1192314
-6.299755
-5.245111
1.286978
other
Hf8Bi16
24
58
643.99
mp-504659
-5.327782
-2.780855
3.355132
other
Hf24P12
36
58
657.46
mp-685078
-3.277972
1.710361
2.911267
other
K11B62
73
6
840.2
mp-796331
7.386711
6.798877
-3.980864
other
Mo2O10
12
6
185.63
mp-1379262
9.769039
13.102674
-0.805941
other
Fe24O32
56
6
630.08
mp-1073604
-2.552961
-5.471356
6.985909
other
Mg4Si8
12
6
234.21
mp-1220520
-7.784207
-6.738187
7.031208
other
Nd12Rh3
15
6
472.84
mp-1074201
-2.693367
-5.344531
7.046261
other
Mg8Si14
22
6
388.8
mp-1220003
-7.842282
-4.115799
1.571767
other
P3Pd12
15
6
223.22
mp-1255862
-2.498801
-5.45342
7.152371
other
Mg8Si14
22
6
404.05
mp-684639
11.519984
9.357398
1.190988
other
U5O15
20
6
346.8
mp-1182229
9.772213
13.102941
-0.805956
other
Fe24O32
56
6
630.08
mp-1074108
-2.681777
-5.331903
7.060515
other
Mg8Si14
22
6
388.02
mp-1218312
11.010981
11.888754
2.873966
other
Ta22O55
77
6
997.54
mp-1186428
-5.714281
-4.720373
3.429974
other
Nd2Pu6
8
6
221.37
mp-684686
-4.408414
-3.913962
-3.728046
other
Yb43Se45
88
6
2,485.4
mp-1420147
0.546942
2.473578
1.907668
other
Mn2N2
4
6
39.31
mp-1073908
-2.692776
-7.10733
7.666929
other
Mg12Si10
22
6
420.48
mp-1217445
-3.950646
-0.112845
-4.308877
other
Ti15S24
39
6
720.25
mp-1074175
-2.641137
-5.364962
7.086764
other
Mg8Si14
22
6
391.44
mp-1361615
-5.266189
-6.910268
3.473742
other
Ba10Ga12
22
6
779.53
mp-1080292
-4.276359
-4.867069
-3.404862
other
Ce4Se8
12
6
537.3
mp-1185610
-5.699745
-4.624759
3.420763
other
La2Pu6
8
6
222.5
mp-1247914
12.626257
7.508812
0.775378
other
Al12O18
30
6
346.72
mp-1074110
-2.589462
-5.380249
7.124203
other
Mg8Si14
22
6
387.37
mp-1220414
-7.720503
-2.413181
3.768787
other
Nb2Rh4
6
6
93.07
mp-1075277
-2.116277
-5.79917
7.426708
other
Mg6Si8
14
6
254.48
mp-1074193
-2.625085
-5.363564
7.106366
other
Mg8Si14
22
6
389.74
mp-1075433
-2.148916
-5.892801
7.462892
other
Mg10Si12
22
6
401.76
mp-1073992
-2.704812
-7.033254
7.653494
other
Mg12Si10
22
6
417.92
mp-1073570
-2.517802
-5.451413
7.085803
other
Mg4Si8
12
6
224.63
mp-1074941
-2.267756
-5.748136
7.393028
other
Mg6Si8
14
6
254.73
mp-684923
-5.486583
-2.721749
-4.312909
other
Cu75Se78
153
6
3,122.07
mp-1073911
-2.732297
-7.294372
7.694762
other
Mg12Si10
22
6
411.16
mp-1075091
-2.18581
-5.736516
7.398993
other
Mg6Si8
14
6
256.57
mp-1074080
-2.803837
-5.293451
6.971625
other
Mg8Si14
22
6
386.8
mp-1215348
-5.272492
-3.541895
4.3634
other
Zr5Si3
8
6
172.02
mp-1073477
-2.519046
-5.466111
7.024999
other
Mg4Si8
12
6
229.09
mp-1100708
-2.457638
-6.003573
7.475913
other
Mg10Si12
22
6
401.12
mp-1073921
-2.65295
-7.161015
7.623729
other
Mg12Si10
22
6
422.24
mp-1075490
-1.979078
-6.015703
7.487755
other
Mg10Si12
22
6
424.67
mp-1228652
-2.695042
1.824773
2.60234
other
B24O3
27
6
199.29
mp-1073313
-2.528801
-5.421661
7.052299
other
Mg4Si8
12
6
219.95
mp-1074141
-2.584556
-5.378985
7.127154
other
Mg8Si14
22
6
390.91
mp-1216212
-4.721163
-4.378761
6.105009
other
Y4Si8
12
6
257.38
mp-1074922
-2.217871
-5.769578
7.375361
other
Mg6Si8
14
6
261.82
mp-1073300
-2.526175
-5.425533
7.03893
other
Mg4Si8
12
6
221.3
mp-1074174
-2.608269
-5.371252
7.107518
other
Mg8Si14
22
6
392.72
mp-1075489
-2.09229
-5.932003
7.479061
other
Mg10Si12
22
6
406.85
mp-1223102
5.742707
2.246953
-2.856437
other
Li7C120
127
6
1,282.22
mp-2526683
10.583657
11.20199
-3.077756
other
W7O21
28
6
464.08
mp-1075396
-1.950953
-6.091816
7.483798
other
Mg10Si12
22
6
429.95
mp-1239203
-5.05048
0.832024
-4.601698
other
Mo1S3
4
6
85.69
mp-1074924
-1.983003
-5.927504
7.522145
other
Mg6Si8
14
6
263.71
mp-1073926
-2.716016
-7.051101
7.66177
other
Mg12Si10
22
6
418.02
mp-638270
8.964234
14.756634
-0.778516
other
Mn12O16
28
6
405.64
mp-1173590
-4.511864
-1.030897
-2.764662
other
Nb4Se6
10
6
214.55
mp-1075384
-2.06995
-5.927066
7.491276
other
Mg10Si12
22
6
405.58
mp-27413
-5.697118
-0.845948
2.366601
other
Mo8P5
13
6
185.88
mp-1074998
-2.18392
-5.815767
7.379615
other
Mg6Si8
14
6
259.99
mp-1074106
-2.645992
-5.349377
7.096527
other
Mg8Si14
22
6
386.62
mp-1075351
-2.497635
-5.655522
7.256215
other
Mg6Si8
14
6
247.25
mp-1226103
-7.88642
0.334719
3.656931
other
Co12B3
15
6
147.09
mp-1096896
0.674393
3.083319
1.533028
other
Cr4N8
12
6
166.58
mp-1077275
0.546836
2.148024
2.143011
other
Re2N4
6
6
59.02
mp-1075406
-2.089335
-5.897099
7.449494
other
Mg10Si12
22
6
416.73
mp-673849
13.493449
6.414283
-1.075649
other
Si24O52
76
6
1,281.69
mp-1075194
-2.171414
-5.806462
7.416591
other
Mg6Si8
14
6
251.98
mp-557653
14.618039
6.076002
-0.263366
other
Si4O8
12
6
142.96
mp-1205429
5.271537
11.119843
-2.445707
other
Fe8O16
24
6
305.56
mp-1258448
-2.541356
-5.422869
7.141482
other
Mg8Si14
22
6
398.79
mp-1217637
-4.766563
-4.250596
6.073969
other
Tb4Si7
11
6
223.28
mp-1100457
-2.5168
-5.40364
7.08314
other
Mg8Si16
24
6
421.98
mp-1217163
-3.957947
-0.117387
-4.306111
other
Ti5S8
13
6
242.38
mp-1073909
-2.70345
-7.247811
7.692401
other
Mg12Si10
22
6
413.92
mp-1074233
-2.611173
-5.387303
7.110739
other
Mg8Si14
22
6
395.19
mp-1178414
12.187077
11.613751
0.57321
other
Cr6O6
12
6
147.33
mp-1075286
-2.217927
-5.79734
7.378545
other
Mg6Si8
14
6
247.69
mp-1073523
-2.456727
-5.513821
7.048322
other
Mg4Si8
12
6
234.03
mp-1074891
-3.200998
-7.788152
7.435554
other
Mg14Si8
22
6
447.74
mp-690722
6.329055
8.657698
-1.486937
other
Pb8O12
20
6
335.59
mp-1074195
-2.602221
-5.401139
7.138573
other
Mg8Si14
22
6
393.36
mp-1173536
13.900476
6.266707
-0.840034
other
Si24O52
76
6
1,299.65
mp-1073263
-2.509336
-5.4378
7.0837
other
Mg4Si8
12
6
224.82
mp-1221030
-7.797496
-2.178105
2.298464
other
Ni32Sn24
56
6
905.49
mp-37036
9.543248
8.649303
-0.577468
other
Bi2O3
5
6
85.83
mp-1094283
-6.176236
-4.395316
3.176603
other
Zr8Sn8
16
59
375.55
mp-1342978
11.778027
13.753942
-2.3226
other
V8O16
24
59
328.33
mp-1044534
12.657942
10.879307
-0.97881
other
W6O14
20
59
285.69