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-1403979
-2.96016
-5.727453
6.505492
other
Mg6Si8
14
1
260.95
mp-1245195
16.95031
9.382645
7.697509
other
Mg40O40
80
1
979.92
mp-1245298
9.059533
8.966949
1.666391
other
Ba50O50
100
1
2,610.94
mp-1075115
-2.102768
-5.887993
7.435782
other
Mg6Si8
14
1
262.68
mp-1075570
-2.093093
-5.90469
7.462847
other
Mg10Si12
22
1
413.47
mp-1073940
-2.637443
-7.084665
7.570752
other
Mg12Si10
22
1
431.99
mp-1245112
10.921376
9.918223
3.732734
other
Hf34O68
102
1
1,330.07
mp-1245202
10.293443
9.203832
0.1666
other
In40O60
100
1
1,482.87
mp-1075486
-2.087754
-5.895509
7.450974
other
Mg10Si12
22
1
416.15
mp-1244898
12.701719
7.428463
0.64089
other
Al40O60
100
1
1,051.19
mp-1075009
-2.073815
-5.867399
7.394693
other
Mg6Si8
14
1
266.33
mp-1075616
-2.761232
-5.321501
7.018089
other
Mg10Si18
28
1
490.96
mp-1074213
-2.710558
-5.305357
7.064317
other
Mg8Si14
22
1
385.84
mp-1220657
-4.016429
-0.105419
-3.528386
other
Nb6S10
16
1
297.68
mp-1398291
-2.467739
-5.610209
6.96778
other
Mg4Si8
12
1
226.06
mp-1245215
12.681622
7.803451
0.617142
other
Al36O18
54
1
1,377.64
mp-1073900
-2.61587
-7.092086
7.589425
other
Mg12Si10
22
1
433.94
mp-1245174
9.988279
12.101298
-4.288032
other
V30O75
105
1
1,736.07
mp-1245158
9.092558
1.105498
1.0831
other
Al25F75
100
1
1,250.92
mp-1244977
0.855499
1.554761
2.798133
other
Ta50N50
100
1
1,351.5
mp-1245319
-4.667561
-1.810333
-6.725985
other
Zn50S50
100
1
2,366.36
mp-1075337
-2.068602
-5.885978
7.447654
other
Mg6Si8
14
1
266.35
mp-1074832
-3.165712
-7.809743
7.428949
other
Mg14Si8
22
1
453.39
mp-676241
1.863805
2.711101
-4.77995
other
Fe2Cl6
8
1
244.81
mp-1244947
12.667124
7.44021
0.685865
other
Al40O60
100
1
1,084.15
mp-1219328
-2.40392
-0.231605
-4.763945
other
Se3S21
24
1
688.56
mp-1244907
12.542273
5.742479
-1.841961
other
Be50O50
100
1
803.07
mp-1074044
-3.376599
-8.039872
7.411423
other
Mg18Si10
28
1
556.3
mp-1245033
2.672603
2.617338
1.172658
other
Ga50N50
100
1
1,538.16
mp-1244927
2.615278
2.552847
1.254933
other
Ga50N50
100
1
1,473.99
mp-1073998
-2.796628
-7.131174
7.628688
other
Mg12Si10
22
1
410.1
mp-1244900
11.906885
8.068329
-0.019423
other
Ga32O48
80
1
1,044.72
mp-1075734
-2.858741
-5.275357
6.929736
other
Mg10Si18
28
1
490.73
mp-1245001
11.939539
11.377464
-0.144183
other
Fe40O40
80
1
1,093.82
mp-1173348
10.036981
9.951547
-0.799992
other
Sb26O53
79
1
1,099.09
mp-684678
9.658775
4.196202
-4.012794
other
H28O14
42
1
372.81
mp-1075731
-2.65834
-5.34908
7.079309
other
Mg10Si18
28
1
493.27
mp-1073021
-2.176512
-5.783456
7.356467
other
Mg8Si12
20
1
382.34
mp-684591
12.646185
7.541143
0.608273
other
Al16O24
40
1
388.93
mp-776583
9.735164
12.360674
-4.297624
other
V18O44
62
1
761.69
mp-1073075
-2.466835
-5.607425
7.211091
other
Mg8Si12
20
1
378.54
mp-936248
-5.481295
-2.952642
-4.245322
other
Cu9Se8
17
1
343.99
mp-780521
7.699837
10.239854
-3.854902
other
Cr19O48
67
1
892.86
mp-1179651
14.116924
6.566708
-0.637289
other
Si10O16
26
1
502.09
mp-1073720
-2.46664
-6.864388
7.686604
other
Mg6Si6
12
1
219.58
mp-675211
10.825827
11.157516
-2.929106
other
W7O21
28
1
555.27
mp-1245197
-4.677524
-1.810963
-6.744584
other
Zn50S50
100
1
2,425.53
mp-643430
-3.787127
-1.385304
-5.86155
other
Al12S18
30
1
906.92
mp-1245315
10.087257
12.169869
-4.269642
other
V30O75
105
1
1,857.91
mp-777580
9.884277
12.745566
-4.197398
other
V5O12
17
1
196.98
mp-1244914
2.88072
2.364484
1.692143
other
Si45N60
105
1
1,224.49
mp-1244897
12.265088
7.164745
-6.126957
other
P30O75
105
1
1,867
mp-1075273
-2.193921
-5.828475
7.40917
other
Mg6Si8
14
1
250.93
mp-1244912
11.303388
12.852883
-0.65917
other
Cr32O48
80
1
942.98
mp-1245258
2.624861
2.570046
1.224004
other
Ga50N50
100
1
1,496.26
mp-1245219
9.854011
12.08523
-4.291332
other
V30O75
105
1
1,600.2
mp-1255188
-2.635858
-5.421179
6.909281
other
Mg4Si8
12
1
234.21
mp-1245082
-4.594346
-1.794058
-6.652391
other
Zn50S50
100
1
2,408.08
mp-1245268
11.097705
11.109561
-2.811606
other
W25O75
100
1
1,810.62
mp-1073877
-2.778867
-7.131125
7.636067
other
Mg12Si10
22
1
411.82
mp-1212508
-8.116297
-10.999843
5.798332
other
Mg10Mn6
16
1
299.75
mp-556319
15.224439
5.78576
0.130229
other
Si4O8
12
1
173.32
mp-1245002
2.700531
2.649607
1.067151
other
Ga50N50
100
1
1,528.26
mp-1016069
0.608017
3.124813
1.577706
other
Cr4N8
12
1
159.73
mp-1245188
2.645505
2.62165
1.092004
other
Ga50N50
100
1
1,549.98
mp-1245177
12.599864
7.148448
-6.182978
other
P30O75
105
1
1,873.31
mp-1073613
-2.611055
-5.376575
7.018888
other
Mg4Si8
12
1
220.75
mp-1080350
-4.274529
-4.228278
-3.382159
other
Ce3Se6
9
1
263.25
mp-1244911
8.594187
13.109924
-1.379218
other
Fe32O48
80
1
978.37
mp-1075482
-2.147111
-5.8677
7.419298
other
Mg12Si16
28
1
517.13
mp-1074327
-2.862164
-7.398731
7.620233
other
Mg16Si12
28
1
531.31
mp-1074218
-2.595837
-5.394785
7.133186
other
Mg8Si14
22
1
390.91
mp-684966
7.832945
8.296705
0.517629
other
Tb16O26
42
1
641.37
mp-1245255
10.404816
9.069235
0.080928
other
Zn40O40
80
1
1,085.36
mp-1073686
-2.37108
-6.641023
7.659762
other
Mg6Si6
12
1
224.56
mp-1096886
0.713081
3.076376
1.527174
other
Cr4N8
12
1
246.22
mp-1245191
12.686898
7.421673
0.723708
other
Al40O60
100
1
1,128.24
mp-1245217
-5.528615
-5.611384
0.477106
other
Ga50Sb50
100
1
2,733.11
mp-1244917
3.326603
2.643781
0.476489
other
B50N50
100
1
1,297.56
mp-1244967
12.67878
7.434927
0.705019
other
Al40O60
100
1
1,098.23
mp-1245078
8.717954
12.879853
-1.43295
other
Fe32O48
80
1
1,058.1
mp-1245245
11.663941
7.282366
-6.091378
other
P30O75
105
1
1,734.65
mp-684970
-5.489171
-2.983755
-4.481627
other
Cu19Se11
30
1
522.07
mp-1380432
13.046124
10.655909
-0.218095
other
W12O24
36
1
569.73
mp-1074528
-2.861151
-7.463942
7.523532
other
Mg16Si12
28
1
554.99
mp-556880
15.274655
5.743975
0.172869
other
Si4O8
12
1
177.7
mp-1074288
-2.924194
-7.55688
7.506496
other
Mg8Si6
14
1
268.23
mp-1100467
-2.538214
-5.473746
7.008673
other
Mg4Si8
12
1
232.39
mp-1245065
12.698659
7.41727
0.70314
other
Al40O60
100
1
1,102.54
mp-1245314
-4.766555
-4.837593
0.068434
other
Ga50As50
100
1
2,363.02
mp-1073210
-2.32334
-5.744668
7.282714
other
Mg8Si12
20
1
396.81
mp-722960
-3.423413
-4.067883
0.741133
other
Cd14P20
34
1
762.94
mp-645449
-5.730561
-2.976585
-2.044625
other
Te36Au24
60
1
1,604.08
mp-32633
-4.19786
-4.189608
-3.683882
other
Dy24Se44
68
1
1,606.36
mp-1245281
3.262729
2.643801
0.584681
other
B50N50
100
1
1,246.23
mp-1073903
-2.68955
-7.233541
7.646592
other
Mg12Si10
22
1
421.18
mp-1080334
-4.269334
-4.556285
-3.384822
other
Ce4Se8
12
1
427.42
mp-1245178
9.109067
9.71814
-0.609385
other
Sn30O60
90
1
1,232.87
mp-32554
-1.214527
1.995973
-2.514327
other
Ta2I5
7
1
361.72
mp-1247880
12.615604
7.44839
0.616517
other
Al18O27
45
1
477.82