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-30303
7.568881
8.709234
-0.898632
other
Bi8O14
22
2
341.07
mp-1074333
-2.922924
-7.462974
7.470772
other
Mg8Si6
14
2
271.61
mp-555960
15.48062
5.586872
0.208078
other
Si16O32
48
2
1,702.29
mp-16302
7.142081
8.390869
-0.963522
other
Tb24O44
68
2
971.02
mp-638765
13.189653
7.83686
0.364805
other
Al4O6
10
2
124.71
mp-1079945
-4.874081
-4.816257
0.302068
other
Sr2As6
8
2
208.77
mp-1074632
-3.668813
-8.37728
7.2859
other
Mg8Si4
12
2
239.41
mp-1226578
-5.571143
-0.030813
-5.544817
other
Cr19S30
49
2
865.81
mp-1182019
10.433564
3.431818
-4.107879
other
H24O12
36
2
516.04
mp-684670
1.763428
2.68302
-4.578063
other
Pt2Cl4
6
2
161.28
mp-705553
11.927622
11.975787
-0.12733
other
Fe23O25
48
2
516.47
mp-748
12.168697
12.083176
1.966529
other
Ti10O18
28
2
296.29
mp-1238909
-8.096525
-3.383822
2.744766
other
Ti13Pt42
55
2
1,530.36
mp-1221945
8.081225
14.016985
-1.881649
other
Mn8O17
25
2
287.6
mp-1194653
-3.382491
-3.827522
0.474372
other
Na2P30
32
2
719.19
mp-1199780
-6.406121
-5.670762
0.534982
other
V16Bi92
108
2
3,238.01
mp-766361
11.00036
11.95393
2.715378
other
Nb20O50
70
2
985.24
mp-645316
6.739871
2.46432
-2.87567
other
C140F60
200
2
2,308.36
mp-32715
-2.694364
1.80473
2.663113
other
B72O10
82
2
609.48
mp-570438
-6.201074
-7.157019
4.03492
other
Yb16Tl6
22
2
719.1
mp-796077
7.340649
6.383181
-2.190852
other
Mn1O2
3
2
35.3
mp-1214894
-6.495879
-2.17669
6.129509
other
Al11Cr4
15
2
222.34
mp-1248557
-2.437434
-6.712859
7.705529
other
Mg6Si6
12
2
225.91
mp-530274
-3.432899
1.625201
2.793671
other
Al23B50
73
2
622.44
mp-559485
12.359468
13.487438
-1.954544
other
V18O34
52
2
550.17
mp-705555
11.770114
12.049485
-0.138824
other
Fe20O22
42
2
455.06
mp-1830474
8.269629
1.888449
0.187154
other
Ta2F10
12
2
207.7
mp-1073208
-2.472731
-5.570902
7.303372
other
Mg8Si12
20
2
355.64
mp-1101909
2.000808
2.810189
-4.310803
other
V2Cl10
12
2
302.61
mp-606644
-3.447823
-3.734886
0.513591
other
Cu4P40
44
2
942.53
mp-568245
-0.793036
1.075756
-3.813356
other
Nb2Br10
12
2
400.18
mp-21018
12.755552
13.256518
-1.473728
other
V8O14
22
2
225.96
mp-1180203
8.744753
9.681494
-3.760479
other
Mo2O8
10
2
169.91
mp-1245393
7.176009
7.127124
-4.051493
other
Mg4O8
12
2
137.53
mp-30935
8.304994
1.975179
-1.204971
other
B34F54
88
2
1,103.31
mp-1881158
8.083078
1.406349
-0.505832
other
Bi2F10
12
2
226.06
mp-1073735
-2.325593
-6.909597
7.770811
other
Mg6Si6
12
2
226.98
mp-759037
11.665059
12.104635
-0.149435
other
Fe9O10
19
2
205.63
mp-1073181
-2.706942
-5.356964
7.144085
other
Mg8Si12
20
2
350.39
mp-1206211
4.323546
2.512296
-3.281681
other
Ca1C6
7
2
139.43
mp-531572
0.99361
1.601498
-5.231968
other
Sr25Cl52
77
2
2,213.55
mp-1221693
9.851244
0.758253
-0.332895
other
Mn3F12
15
2
176.21
mp-1181164
-4.867879
0.629335
-4.298544
other
Mo6S8
14
2
411.9
mp-756693
11.291865
12.318363
-0.269642
other
Fe13O15
28
2
303.68
mp-1399809
8.128873
2.474283
-1.010403
other
Sb2F10
12
2
207.25
mp-849511
12.172579
13.357166
-2.294266
other
V5O10
15
2
167.38
mp-572758
-3.366172
0.973192
-3.850771
other
Re8S16
24
2
467.53
mp-778663
12.587371
11.699033
1.973022
other
Ti16O28
44
2
493.82
mp-556566
12.406341
13.474376
-1.911024
other
V16O30
46
2
486.43
mp-9481
-3.683086
0.716001
-4.022087
other
Tc4S8
12
2
229.42
mp-1329763
-3.752535
-1.296145
-3.61375
other
Zr24S32
56
2
1,120.14
mp-1226371
-5.424721
-1.619192
-3.808377
other
Cr8Se12
20
2
406.84
mp-1073201
-2.449039
-5.566905
7.213065
other
Mg8Si12
20
2
372.39
mp-1188071
-1.127228
2.11332
-2.578742
other
Zr4I16
20
2
1,108.81
mp-1310867
11.790657
12.737509
0.116454
other
Cr6O8
14
2
156.57
mp-684749
-3.863031
-1.411277
-3.614574
other
Zr24S32
56
2
1,109.55
mp-936202
6.966265
7.373551
-3.434192
other
La2O6
8
2
144.31
mp-1065860
-3.354342
-1.543638
-4.995265
other
Sb2S2
4
2
199.53
mp-673667
12.748803
9.798129
1.993045
other
Ti21O21
42
2
450.65
mp-556069
7.190504
8.367507
-0.94696
other
Tb11O20
31
2
444.71
mp-1220184
6.14889
11.296153
-1.642886
other
Ni5O11
16
2
187.65
mp-557002
7.226599
8.361456
-0.702668
other
Pr9O16
25
2
416.46
mp-849060
-4.720189
0.328986
-4.613076
other
V1S2
3
2
103.19
mp-565700
11.603628
12.375428
1.923771
other
Ti16O30
46
2
485.59
mp-542495
-4.662171
-0.960875
-2.907269
other
Ta13Se26
39
2
915.85
mp-684869
-6.171905
-2.374413
-0.869509
other
Te16Rh11
27
2
649.25
mp-1073743
-2.516774
-6.859972
7.606774
other
Mg6Si6
12
2
213.27
mp-27736
-5.086364
-1.61731
1.597471
other
Re8P20
28
2
438.88
mp-1073780
-2.364267
-6.837086
7.684318
other
Mg6Si6
12
2
219.43
mp-642890
-3.791367
-4.114068
-3.348251
other
La4Se4
8
2
632.43
mp-32630
-4.729699
-1.557044
-2.861783
other
Ti19Se20
39
2
693.53
mp-1214901
-7.151819
-0.581433
5.429467
other
Al12Fe7
19
2
256.53
mp-759504
11.848496
12.013845
-0.129999
other
Fe10O11
21
2
224.47
mp-1187081
-6.217062
-6.230068
2.08496
other
Si1Sn3
4
2
101.04
mp-1074538
-2.953573
-7.583501
7.529844
other
Mg4Si3
7
2
137.43
mp-1100454
-2.356678
-6.84296
7.706051
other
Mg12Si12
24
2
444.38
mp-1203833
-7.757293
-2.742635
4.961305
other
Ga62Mo12
74
2
1,317.12
mp-1073326
-2.755328
-5.320867
6.933813
other
Mg8Si16
24
2
418.67
mp-1074483
-2.959517
-7.532054
7.568786
other
Mg8Si6
14
2
259.24
mp-30524
11.953877
12.219581
1.941555
other
Ti12O22
34
2
359.38
mp-1383748
-2.729795
-5.824485
6.209919
other
Mg8Si6
14
2
259.24
mp-1074780
-3.756034
-8.437679
7.224747
other
Mg8Si4
12
2
234.49
mp-1393434
8.352868
2.673348
-0.805159
other
Ta2F10
12
2
207.7
mp-1073035
-2.19509
-5.739168
7.27279
other
Mg4Si6
10
2
189.73
mp-684822
-6.242259
-2.273791
-0.975632
other
Co19Te34
53
2
1,165.06
mp-1075851
-2.99911
-7.678069
7.412133
other
Mg6Si4
10
2
204.5
mp-1075479
-2.101928
-5.892293
7.470079
other
Mg10Si12
22
2
408.69
mp-559432
7.906653
2.722954
-2.310272
other
C6F12
18
2
250.07
mp-1080640
-4.240955
-4.435214
-3.411895
other
Ce13Se26
39
2
1,292.72
mp-1073298
-2.572277
-5.476446
6.962346
other
Mg8Si16
24
2
469.82
mp-487
-4.775556
-1.865767
1.100975
other
Mn2P8
10
2
144.43
mp-32682
-6.272662
-2.360548
-0.716091
other
Te24Ir9
33
2
820.12
mp-1100464
-2.826663
-5.237422
6.956898
other
Mg2Si4
6
2
103.22
mp-739212
7.920599
3.579333
-1.020387
other
Sb2F13
15
2
250
mp-1074955
-2.176748
-5.791863
7.406189
other
Mg6Si8
14
2
258.47
mp-1218680
-6.044851
-5.92348
0.816897
other
Sr4Bi11
15
2
563.36
mp-1073236
-2.459327
-5.514845
7.297399
other
Mg4Si6
10
2
179.19
mp-28214
-0.697564
0.826861
-3.810516
other
Ti2Br6
8
2
241.63
mp-1182877
7.452105
7.9788
-3.457669
other
Al2O6
8
2
118.2
mp-1211471
-3.383811
-3.813894
0.486105
other
K2P30
32
2
769.16