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-753401
10.631072
9.60476
3.339303
other
Sc4Ti2O10
16
36
200.97
mp-1180067
6.757353
6.252589
-3.686699
other
Nd2Br6O36
44
36
765.7
mp-1246569
1.020278
2.452617
1.8578
other
Mg4Ru2N6
12
36
155.48
mp-1020059
2.42566
2.325245
1.67512
other
Li2Ge4N6
12
36
132.89
mp-1225595
-2.802109
-2.772264
-5.801896
other
Er4Mn2S8
14
36
294.08
mp-1246498
0.405392
2.48038
1.811019
other
Fe4Ir2N6
12
36
121.27
mp-1176588
6.300635
13.462251
-1.309594
other
Li4Ni4O8
16
36
133.9
mp-1246070
0.445266
2.490411
1.854344
other
V2Co4N6
12
36
120.39
mp-1276248
9.247267
7.409725
-4.085326
other
Co4H4O8
16
2
140.87
mp-28455
12.043136
6.758379
-5.959103
other
Hg4P4O14
22
2
293.84
mp-852825
7.582565
5.11447
-1.935721
other
Bi4B4O14
22
2
336.86
mp-1045305
12.484017
10.816602
0.141641
other
Ca4Mo4O12
20
2
251.9
mp-1306705
9.104698
13.062076
0.181659
other
Ta4Mn4O16
24
2
264.34
mp-753526
12.415624
10.870857
-1.29895
other
W6O12F6
24
2
348.83
mp-1644153
7.046236
19.570805
-0.184351
other
Li14Mn10O24
48
2
441.95
mp-685980
-5.441057
1.012331
-4.665779
other
Ni2Mo6S8
16
2
272.62
mp-782009
-0.291402
0.819121
-3.852813
other
Ca18La10Br66
94
2
2,812.33
mp-31231
1.234611
2.128171
1.551014
other
Sr10Mo4N14
28
2
501.4
mp-625532
10.406399
6.755041
-4.479878
other
Mo2H4O8
14
2
160.77
mp-756129
9.831447
2.403822
0.366007
other
Li2V4F18
24
2
345.35
mp-756032
13.146749
13.335556
-1.899068
other
V6O10F2
18
2
192.74
mp-680424
13.491903
6.509268
-6.482232
other
Al8P8O32
48
2
686.4
mp-1105646
8.820846
8.023795
-4.073411
other
Zn4As2O10
16
2
215.66
mp-727209
7.043649
8.44153
-2.775438
other
Ba2Al2O10
14
2
245.19
mp-532522
12.378243
13.029059
-0.738045
other
Mn14V10O32
56
2
652.54
mp-1178584
-1.253812
1.953128
-1.671607
other
Ba10Y6I38
54
2
2,704.92
mp-1003314
8.379877
14.603974
-0.935798
other
K1Mn2O4
7
2
94.53
mp-1204890
6.316696
5.561167
-4.496587
other
Zr4N8O36
48
2
769.44
mp-1211885
8.553266
1.687951
1.029376
other
Li3Nb1F6
10
2
276.83
mp-23563
3.02549
2.470905
-4.417121
other
Si6Cl12O6
24
2
677.31
mp-1238967
8.322006
1.136762
0.71999
other
Rb3Ru1F6
10
2
322.64
mp-674969
9.607108
10.885341
-3.169103
other
Rb10W16O60
86
2
1,482.8
mp-683938
5.761693
3.381361
-4.658352
other
Rh16C40O38
94
2
1,573.43
mp-25198
10.014011
11.039979
-3.0905
other
Pr2W4O16
22
2
338.43
mp-27222
10.469655
10.681983
-3.842797
other
Li6Mo12O39
57
2
803.94
mp-1386508
8.186587
13.370207
-0.986627
other
Mg2Fe4O8
14
2
166.94
mp-756277
10.574924
9.337891
3.246215
other
Er6Ta2O14
22
2
283.64
mp-762165
5.893202
13.020668
-1.475658
other
Li3Ni5O10
18
2
171.77
mp-584339
10.184764
8.178803
-6.828309
other
Co3P4O14
21
2
246.02
mp-753907
12.907553
7.782104
-1.754962
other
V6Si12O36
54
2
699.49
mp-697827
10.25482
8.17814
-6.845315
other
Co6P8O28
42
2
514.01
mp-774250
8.803385
13.583518
-0.767918
other
Mn2Al2O6
10
2
97.5
mp-770811
13.011774
7.15239
-1.699827
other
Si8As8O28
44
2
677.72
mp-723625
8.327126
1.979248
-0.260145
other
Hf4N4F16
24
2
371.66
mp-1192467
6.566579
5.906344
-3.63051
other
La2Cl6O14
22
2
404.64
mp-1226185
-4.481597
-5.737322
0.490424
other
K24In4As12
40
2
1,401.08
mp-1232490
-2.835852
-0.291867
-5.170158
other
Fe4P4S12
20
2
418.63
mp-561922
6.588094
11.354491
1.171359
other
La2Co2O6
10
2
113.21
mp-1046147
12.028675
11.43194
0.477314
other
Zn4Cr4O8
16
2
210.79
mp-27248
10.772335
11.227303
-2.650254
other
Na2W4O13
19
2
261.76
mp-1641274
7.002155
19.650133
-0.197981
other
Li14Mn10O24
48
2
443.58
mp-22328
6.992392
8.633708
-0.640204
other
K8Pb2O8
18
2
375.81
mp-1245830
0.831621
2.359499
1.820567
other
Os6Pb6N10
22
2
387.79
mp-756220
10.62604
2.752605
1.467843
other
V8O2F22
32
2
434.14
mp-1100901
12.490913
12.005775
-1.734489
other
Yb2V8O16
26
2
430.58
mp-1247545
0.652378
2.19989
2.231918
other
Nb4Mo4N12
20
2
236.51
mp-1302394
11.450636
13.755356
-1.35122
other
Li8V6O16
30
2
305.16
mp-1042270
9.781675
8.626713
-0.443893
other
Zn2Bi4O8
14
2
222.79
mp-1178442
9.566353
8.030666
-6.248718
other
Co5P8O28
41
2
519.41
mp-1209495
-2.69956
0.665516
-3.561958
other
Re12Se16Br12
40
2
1,137.28
mp-17235
12.343137
6.601679
0.35661
other
Sm8Si8O28
44
2
595.26
mp-559304
10.49152
9.348007
-1.990216
other
Er4Te10O26
40
2
603.37
mp-753387
9.604007
0.511406
-0.072582
other
Li2Cu3F8
13
2
157.45
mp-675169
9.498027
8.481332
-0.6567
other
Bi14S1O24
39
2
669.99
mp-769346
11.783387
7.340604
0.20991
other
Y8Ge8O28
44
2
580.73
mp-27859
7.689781
2.722384
-1.160888
other
Sb3I15F18
36
2
987.4
mp-541349
8.506611
1.655358
-0.582224
other
Ho4Au10F42
56
2
892.73
mp-780619
11.052102
11.358898
2.969071
other
Rb4Ta4O12
20
2
351.32
mp-768355
8.493086
1.244728
1.93769
other
Ba6Y6F30
42
2
652.77
mp-1246083
1.082075
2.468902
1.579087
other
Co6Pb6N10
22
2
325.27
mp-1175326
6.911426
19.794312
-0.206104
other
Li14Mn10O24
48
2
442.36
mp-727394
6.400587
5.562114
-4.465662
other
Zr4N8O36
48
2
777.43
mp-777700
9.945576
0.737037
0.353292
other
Li6Fe6F24
36
2
515.22
mp-532290
8.465437
1.495345
0.987686
other
Zr12Bi4F60
76
2
1,082.62
mp-1175339
6.537826
20.368555
-0.223275
other
Li7Mn5O12
24
2
223.19
mp-1245587
1.101165
2.106892
1.474881
other
Sr6Ir6N10
22
2
363.34
mp-675084
8.640244
7.946974
-1.620512
other
Ca8Al6O20
34
2
476.37
mp-1175401
4.6467
18.906742
-1.783816
other
Li9Co7O16
32
2
275.18
mp-28174
1.862051
2.783961
-4.363545
other
Pd1S2Cl6
9
2
241.38
mp-25205
10.251514
7.479673
-2.712883
other
Cu5Si4O14
23
2
287.29
mp-1194660
-4.932574
-6.263973
0.635661
other
K22Cd4Sb10
36
2
1,403.7
mp-1279364
5.561187
10.641337
-1.834838
other
Mg4Fe4O12
20
2
208.43
mp-1206879
8.313303
1.024045
0.327765
other
K3Au1F6
10
2
313.82
mp-30304
9.963097
9.114751
-0.397241
other
Bi6Sb2O14
22
2
326.57
mp-770872
7.783565
10.073493
-3.935003
other
Li8Cr8O28
44
2
591.56
mp-761027
7.247355
13.060666
-1.320019
other
Li6Co5O10
21
2
256.7
mp-627409
0.939492
1.230385
-3.894529
other
Ce10C4Cl18
32
2
789.8
mp-990248
8.099352
3.864747
-1.289021
other
Ti1Ag1F6
8
2
122.05
mp-647725
5.663709
3.30481
-4.678105
other
Os20C68O64
152
2
2,633.16
mp-752685
6.532251
8.865634
-0.59487
other
Zr4Bi4O16
24
2
335.29
mp-774192
11.189642
13.716075
-1.318417
other
Li8V4O12
24
2
216.54
mp-540927
2.11167
2.51349
-4.360746
other
U2P2Cl20
24
2
721.52
mp-1100518
7.153211
19.59971
-0.121182
other
Li9Mn7O16
32
2
297.53
mp-1174123
3.903286
19.573292
-1.822148
other
Li5Co3O8
16
2
140.53
mp-1188535
-1.006503
1.200639
-1.660009
other
Y6Ni1I10
17
2
638.35
mp-1182278
6.446954
5.940479
-3.664606
other
Ce2Br6O14
22
2
503.44
mp-8736
-5.955942
1.56541
-4.810285
other
Sr1Mo6S8
15
2
290.71
mp-1100562
7.143613
19.506821
-0.134983
other
Li9Mn7O16
32
2
298.41
mp-1246364
0.795481
2.251165
1.947879
other
Re6Pb6N10
22
2
378.66
mp-1246097
0.376902
2.56646
1.86982
other
Mn2Co8N8
18
2
160.72