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-1075505
-2.012719
-6.116599
7.573423
other
Mg10Si12
22
1
414.74
mp-658803
7.652605
10.134686
-1.505073
other
Au4O6
10
1
141.03
mp-1244974
-4.663879
-1.823182
-6.711648
other
Zn50S50
100
1
2,278.46
mp-705558
9.976371
12.611048
-0.969683
other
Fe21O27
48
1
649.39
mp-1245143
16.868818
9.370934
7.687861
other
Mg40O40
80
1
995.27
mp-770023
-7.60451
-7.518095
1.935481
other
Ag20Hg30
50
1
1,099.1
mp-1245316
-4.595605
-1.779367
-6.656981
other
Zn50S50
100
1
2,428.83
mp-1074263
-2.837185
-7.465033
7.523174
other
Mg16Si12
28
1
548.68
mp-1245102
12.839605
10.582203
-0.417482
other
W34O68
102
1
1,550.73
mp-1073232
-2.225116
-5.788592
7.2053
other
Mg8Si12
20
1
396.47
mp-1074855
-3.327712
-7.99588
7.488696
other
Mg14Si8
22
1
429.52
mp-1075016
-2.16329
-5.842107
7.420255
other
Mg6Si8
14
1
254.38
mp-1402840
9.214038
2.808049
0.965317
other
W2F8
10
1
164.86
mp-1075045
-2.223099
-5.800805
7.352262
other
Mg6Si8
14
1
272.06
mp-1245293
10.863939
10.688418
-3.829224
other
Mo25O75
100
1
1,901.76
mp-1245123
3.002867
2.498665
1.58032
other
Si45N60
105
1
1,287.09
mp-1245048
3.676629
2.714207
-2.739714
other
Sb50N50
100
1
4,028.7
mp-1245056
12.651389
7.455722
0.660174
other
Al40O60
100
1
1,071.73
mp-715553
11.882706
13.575202
-2.387863
other
V4O8
12
1
135.95
mp-1075660
-2.574925
-5.412557
7.108001
other
Mg10Si18
28
1
505.29
mp-1245063
12.691134
7.43214
0.657979
other
Al40O60
100
1
1,076.97
mp-1245156
9.825965
12.077743
-4.296821
other
V30O75
105
1
1,610.6
mp-685153
8.675627
13.174668
-1.34445
other
Fe64O96
160
1
1,812.81
mp-1245054
-4.612639
-1.800936
-6.692739
other
Zn50S50
100
1
2,438.89
mp-1073730
-2.283056
-6.92608
7.726851
other
Mg6Si6
12
1
234.47
mp-1244888
9.955445
8.521634
3.207719
other
Y40O60
100
1
1,594.01
mp-1244928
12.756868
7.392528
0.737949
other
Al40O60
100
1
1,136.48
mp-1073358
-2.500631
-5.523678
7.019604
other
Mg4Si8
12
1
238.94
mp-1074772
-3.681068
-8.374677
7.328759
other
Mg8Si4
12
1
243.93
mp-530074
-3.256527
1.799829
2.783286
other
B56C14
70
1
529.4
mp-1073405
-2.467846
-5.4563
7.114645
other
Mg4Si8
12
1
221.9
mp-1221884
11.987123
11.031451
-2.679632
other
Mo13O33
46
1
649.85
mp-1075666
-2.699909
-5.343955
7.036816
other
Mg10Si18
28
1
494.25
mp-1074639
-2.895029
-7.465724
7.562842
other
Mg16Si12
28
1
541.51
mp-760075
12.825556
11.142281
1.795342
other
Ti19O30
49
1
515.04
mp-759754
12.81345
10.074885
1.950167
other
Ti11O14
25
1
254.72
mp-673700
-5.516601
-2.818683
2.499423
other
Nb14Sb7
21
1
426.52
mp-699208
-3.871923
-1.403323
-5.929567
other
Al12S18
30
1
954.59
mp-1247858
-2.581282
-8.653418
1.399533
other
Ag8Te4
12
1
8,952.7
mp-1074619
-3.681757
-8.322659
7.380351
other
Mg8Si4
12
1
248.23
mp-1074143
-2.538516
-5.409604
7.145041
other
Mg8Si14
22
1
401.66
mp-1072989
-2.192323
-5.820051
7.230583
other
Mg8Si12
20
1
396.9
mp-673255
-5.553428
-2.902311
-4.266108
other
Cu9Se8
17
1
329.35
mp-777129
10.451799
11.835435
2.310134
other
Ti18O36
54
1
1,066.23
mp-1245226
10.921236
9.92774
3.724775
other
Hf34O68
102
1
1,351.47
mp-1245091
11.267936
12.804221
-0.681055
other
Cr32O48
80
1
962.37
mp-1244868
12.722454
7.394607
0.715165
other
Al40O60
100
1
1,124.37
mp-685070
10.413256
10.027178
3.720539
other
Zr19O40
59
1
703.43
mp-1073459
-2.929768
-5.19442
6.855193
other
Mg4Si8
12
1
200.85
mp-1244918
12.768493
7.377777
0.70147
other
Al40O60
100
1
1,125.24
mp-1272087
13.157817
12.736953
-0.943728
other
V6O9
15
1
156.77
mp-1244966
10.926502
10.70678
-3.809129
other
Mo25O75
100
1
1,947.3
mp-705551
12.06015
11.830907
-0.162104
other
Fe15O16
31
1
343.17
mp-1245299
11.166356
12.043086
2.859616
other
Ta30O75
105
1
1,767.92
mp-1245079
12.599079
5.702827
-1.829017
other
Be50O50
100
1
859.84
mp-1073822
-2.200489
-6.610028
7.525303
other
Mg6Si6
12
1
239.17
mp-1074178
-2.490208
-5.457674
7.136621
other
Mg8Si14
22
1
406.82
mp-1073917
-2.656223
-7.082212
7.591821
other
Mg12Si10
22
1
427.98
mp-1245244
2.659076
2.673641
1.034978
other
Ga50N50
100
1
1,569.01
mp-1244884
2.645311
2.676331
1.007368
other
Ga50N50
100
1
1,563.67
mp-1245098
10.655162
12.234185
2.248571
other
Ti30O60
90
1
1,182.74
mp-1073950
-2.634718
-7.054389
7.634687
other
Mg12Si10
22
1
425.32
mp-674644
9.805805
8.612015
-0.679355
other
Bi8O12
20
1
382.88
mp-1443513
8.316859
2.249555
-0.838092
other
Sb2F8
10
1
140.92
mp-1072996
-2.285183
-5.702322
7.336504
other
Mg8Si12
20
1
367.29
mp-1075422
-2.174083
-6.131916
7.572733
other
Mg10Si12
22
1
407.16
mp-1075048
-2.390986
-5.702766
7.336313
other
Mg6Si8
14
1
249.52
mp-1216446
-6.155665
-1.850773
-1.466893
other
V9Te8
17
1
388.7
mp-1074644
-3.710747
-8.36923
7.305338
other
Mg8Si4
12
1
241.31
mp-1080255
-4.254919
-4.985519
-3.419237
other
Ce4Se8
12
1
955.32
mp-1244881
12.737874
10.872376
2.248085
other
Nb34O68
102
1
1,545.95
mp-1074345
-2.918743
-7.499103
7.576391
other
Mg8Si6
14
1
266.35
mp-1001608
6.743614
3.910695
-3.726997
other
C48O36
84
1
1,092.53
mp-705564
6.860583
13.331727
-2.055781
other
Co23O32
55
1
561.38
mp-1289705
11.932291
13.607359
-2.331192
other
V8O16
24
1
280.98
mp-1074733
-3.704498
-8.36762
7.306883
other
Mg8Si4
12
1
233.57
mp-663422
15.314332
5.715759
0.125371
other
Si8O16
24
1
396.77
mp-1245106
4.459721
3.330965
-3.926082
other
Ga50N50
100
1
2,460.46
mp-1245011
6.693234
10.74733
-1.966154
other
Co30O60
90
1
1,181.83
mp-557873
15.467838
5.685109
0.275183
other
Si4O8
12
1
196.25
mp-1074396
-2.817051
-7.399395
7.43299
other
Mg8Si6
14
1
286.66
mp-1359927
13.104268
7.903584
0.145517
other
Al16O24
40
1
412.47
mp-33024
4.813491
0.372373
-3.212698
other
H8S4
12
1
184.26
mp-684677
12.643347
7.468275
0.546813
other
Al16O24
40
1
389.51
mp-1073819
-2.294823
-6.766307
7.661786
other
Mg12Si12
24
1
460.6
mp-1244985
10.069979
12.097889
-4.228667
other
V30O75
105
1
1,840.19
mp-673683
-3.547588
-4.139842
0.484211
other
Sn16P15
31
1
887.65
mp-1244886
2.678235
2.626606
1.125399
other
Ga50N50
100
1
1,531.44
mp-1074668
-3.71147
-8.399856
7.266231
other
Mg8Si4
12
1
239.56
mp-1245034
-4.680633
-1.800232
-6.733548
other
Zn50S50
100
1
2,478.01
mp-1245117
-4.674358
-1.791287
-6.700683
other
Zn50S50
100
1
2,382.67
mp-1245168
11.821393
11.383759
-0.173082
other
Fe40O40
80
1
1,149.89
mp-1074064
-3.423942
-8.123945
7.422878
other
Mg18Si10
28
1
544.23
mp-1224870
-7.944284
-6.709539
2.198688
other
Ga5Ag13
18
1
299.52
mp-1245077
12.850444
10.501194
-0.417204
other
W34O68
102
1
1,687.89
mp-1075269
-2.040464
-5.924388
7.48769
other
Mg6Si8
14
1
267.09
mp-1245193
3.269677
2.676476
0.536848
other
B50N50
100
1
1,135.47
mp-1100973
-4.810024
0.320572
-4.468234
other
V11S16
27
1
546.02
mp-1074917
-3.243459
-7.888031
7.475672
other
Mg14Si8
22
1
445.46
mp-1245329
10.950435
9.109089
0.265216
other
Sn40O40
80
1
1,725.6