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-759977
9.983711
2.484246
1.549432
other
Li8V8F32
48
1
614.43
mp-734466
7.2331
6.136254
-4.507248
other
Cd6S6O40
52
1
898.01
mp-779357
10.336854
2.496652
0.054792
other
V6O2F22
30
1
375.61
mp-1046529
12.997473
10.829547
-0.437988
other
Zn1Mo4O8
13
1
187.02
mp-1181858
11.548342
4.457438
-4.12577
other
Ge7H18O23
48
1
472.89
mp-1179270
10.787965
6.092358
-4.647897
other
V6H12O20
38
1
487.38
mp-877768
7.517494
5.805239
-2.195411
other
Mn10Cr6O32
48
1
563.08
mp-686417
10.734934
9.717713
3.912346
other
Zr50Sc12O118
180
1
2,124.38
mp-1407285
8.073271
11.056437
-0.411936
other
Zn4Cu4O8
16
1
192.26
mp-1204662
10.090755
11.137664
0.961394
other
Sr18W6O36
60
1
894.95
mp-1219249
-3.134436
-3.538856
0.983503
other
Si3P3Ir1
7
1
116.63
mp-678358
-5.434042
-2.638208
-1.052837
other
Hf20Zr4Te32
56
1
1,646.56
mp-1354560
7.54314
5.117255
-1.742682
other
Sn16N16O8
40
1
535.04
mp-731939
13.167691
6.233426
-0.460475
other
Al4Si4O14
22
1
349.25
mp-766994
11.416728
11.432593
0.518771
other
Ba20V20O58
98
1
1,379.02
mp-758727
8.057769
4.361995
-6.612967
other
Cu9C9O27
45
1
561.52
mp-1284734
6.729756
19.516304
-0.354831
other
Li10Mn6O16
32
1
285.97
mp-1041144
12.772759
10.135254
0.362946
other
Ca6W12O24
42
1
619.08
mp-674521
10.26736
9.763448
3.353578
other
Dy10Ti5O25
40
1
547.28
mp-532315
-3.303505
-1.420025
-5.416836
other
Sr17Ta10S42
69
1
1,822.41
mp-1411949
7.870738
4.932181
-1.653671
other
V4O5F7
16
1
211.26
mp-774100
10.000009
8.352379
3.189682
other
Dy29Y3O48
80
1
1,216.13
mp-758273
8.279684
15.727136
-0.605514
other
Li8Mn12O24
44
1
435.82
mp-800090
7.594358
4.865112
-1.619826
other
V4O7F5
16
1
209.68
mp-759843
10.51713
2.244433
-0.199287
other
V6O5F19
30
1
444.42
mp-625788
11.156015
4.287029
-3.343143
other
La2H6O6
14
1
144.84
mp-1332209
9.07654
2.551509
-0.241759
other
Fe5O1F11
17
1
225.05
mp-777845
13.325918
0.477378
1.446779
other
Fe6O5F7
18
1
212.52
mp-685290
9.138235
0.722448
0.776526
other
Sr10Fe6F38
54
1
824.52
mp-861170
10.301315
13.189156
-0.572302
other
Ti5Fe11O24
40
1
433.03
mp-774032
10.043034
13.96277
-0.90647
other
Li4Cr8O16
28
1
294.21
mp-754934
10.363311
1.311111
-1.802197
other
Co6O5F7
18
1
190.84
mp-881063
10.47226
0.673056
-0.670168
other
Co6O2F10
18
1
212.61
mp-1097903
8.490896
14.540358
-1.383942
other
Mn16H8O32
56
1
631.3
mp-1176651
8.316701
14.563168
-1.497188
other
Li3Mn18O36
57
1
658.66
mp-677291
9.583169
8.611575
-0.388106
other
Ca2Bi10O17
29
1
517.4
mp-531484
11.218511
8.635195
2.418303
other
Y20U8O48
76
1
1,104.59
mp-768045
12.607731
12.99933
-1.219977
other
V20Bi4O40
64
1
769.98
mp-1310662
6.50731
13.840938
-1.9181
other
Na6Co10O20
36
1
398.42
mp-626690
10.86568
5.085432
-3.92692
other
Tl8H8O8
24
1
441.23
mp-676951
10.330759
9.480592
3.364816
other
Dy6Nb2O14
22
1
303.27
mp-627944
14.954951
5.39379
-0.042369
other
Si16H8O36
60
1
848.12
mp-759986
13.254756
13.216906
-1.83279
other
V6O10F2
18
1
194.17
mp-675248
10.110368
8.580171
-1.205192
other
Sr4Bi14O25
43
1
854.53
mp-626555
10.486283
6.624931
-4.445155
other
Mo2H4O8
14
1
166.22
mp-1345203
9.389981
1.597659
0.004
other
Mn5O1F11
17
1
237.05
mp-760082
10.331882
1.321419
-1.717347
other
Co6O5F7
18
1
197.96
mp-1228992
-6.041246
-1.197086
3.819115
other
Al3Ge9Mo6
18
1
269.12
mp-758958
10.431622
2.711185
1.000186
other
V4O1F12
17
1
256.03
mp-1178375
9.428719
0.759324
-0.536634
other
Cu6O1F11
18
1
198.72
mp-1233559
9.237839
1.054531
0.213787
other
Mg1Cr1F6
8
1
111.74
mp-757194
9.481455
9.881204
-1.96746
other
Ni4Te16O48
68
1
871.7
mp-1638872
10.089267
8.186779
-6.896111
other
Co6P8O28
42
1
547.92
mp-1233067
13.896955
6.762728
-0.775054
other
Ca1Si6O12
19
1
258.98
mp-1244517
8.396404
10.628297
-0.1603
other
Na12Fe4O12
28
1
394.58
mp-36890
10.220062
9.477844
0.287858
other
Ta1Bi3O7
11
1
165.74
mp-626788
9.992202
5.324582
-4.117205
other
Re2H6O10
18
1
231.35
mp-776314
1.879631
1.761641
2.827497
other
Zr16N16O8
40
1
522.88
mp-1365499
8.998821
12.667727
-1.094428
other
Fe14Ni11O32
57
1
619.71
mp-808843
8.037926
4.178091
-1.240933
other
V2O3F3
8
1
105.26
mp-1178290
11.49329
1.534238
2.630265
other
Fe8O2F14
24
1
300.79
mp-780230
1.688418
1.802517
2.915012
other
Hf16N16O8
40
1
502.79
mp-780511
11.829611
-0.469502
1.178156
other
Mn12O5F19
36
1
440.85
mp-753357
9.414392
8.756657
-0.442494
other
Sr1Bi5O9
15
1
271.58
mp-675493
3.016358
2.924876
-4.180034
other
Sb8Cl27F13
48
1
1,518.01
mp-1216141
7.390865
8.438284
-1.438691
other
Y4Ge1O10
15
1
221.95
mp-1221034
8.550954
1.204358
1.776563
other
Na3Gd3F12
18
1
223.47
mp-774217
10.883766
12.403033
2.289391
other
Na13Ti24O54
91
1
1,080.32
mp-1177934
12.545217
13.589985
-1.124068
other
Li6V16O32
54
1
607.61
mp-1576362
12.53121
13.108205
-1.543702
other
Nb2V6O16
24
1
293.13
mp-1393942
12.748391
11.826722
-0.382993
other
V4Zn4O8
16
1
235.33
mp-2228810
10.961745
13.167295
-3.510892
other
Mg1V5O12
18
1
220.53
mp-626103
11.722303
4.187592
-3.788642
other
Al8H24O24
56
1
435.05
mp-1177687
8.730225
15.180332
-0.518079
other
Li9Mn21O36
66
1
694.14
mp-625807
11.654926
4.16439
-3.905007
other
Al8H24O24
56
1
427.04
mp-676767
8.269898
1.304316
0.401043
other
Ba8Yb6F34
48
1
738.55
mp-764295
5.851137
12.615777
-1.3903
other
Na4Ni9O18
31
1
352.49
mp-677054
9.850755
9.908847
-1.40657
other
Ag12Sb12O36
60
1
857.91
mp-1245144
10.228301
12.767533
-1.322156
other
Cr16Fe16O48
80
1
1,042.58
mp-779833
1.680417
1.806187
2.937644
other
Hf16N16O8
40
1
502.38
mp-706847
12.228971
11.051679
-1.152288
other
Na17W19O57
93
1
1,190.99
mp-759172
10.494905
10.285228
-0.05969
other
Ta4Sb12O32
48
1
661.83
mp-775844
1.881346
1.76838
2.829372
other
Zr16N16O8
40
1
522.69
mp-758747
5.8528
12.959317
-1.49699
other
Li6Ni11O22
39
1
374.33
mp-776281
1.877787
1.761783
2.833694
other
Zr16N16O8
40
1
522.76
mp-759746
12.782432
-0.266667
0.051465
other
Mn6O7F5
18
1
204.38
mp-1358821
7.567204
4.738013
-1.74682
other
Zr16N16O8
40
1
538.22
mp-773830
2.549714
2.56079
1.107424
other
Sn16N16O8
40
1
533.81
mp-1411280
10.273466
9.693467
-0.464746
other
Mg2Sb4O10
16
1
246.59
mp-626708
10.62794
4.594199
-4.275099
other
Co1H2O2
5
1
44.28
mp-1097867
8.496083
14.998967
-0.920667
other
Li6Mn12O24
42
1
448.99
mp-1100968
12.004686
11.183892
2.276827
other
U1Nb6O16
23
1
371.57
mp-1179984
2.455891
2.654244
-3.88302
other
Pt4Br12N8
24
1
703.78
mp-765485
10.778697
10.067643
3.867704
other
Zr15V1O32
48
1
580.79
mp-759085
12.18839
3.13601
1.015974
other
V8O6F18
32
1
396.86
mp-1227222
-6.773323
-1.223882
4.20013
other
Cr23Ga26Fe3
52
1
725.8
mp-861842
9.878494
12.395136
-4.196801
other
Na3V24O60
87
1
1,116.23
mp-759500
10.015804
0.485315
0.362344
other
Li3Co3F9
15
1
171.61
mp-1640750
7.041901
19.623018
-0.191502
other
Li7Mn5O12
24
1
221.08
mp-774507
6.519417
14.04945
-1.952609
other
Li6Co10O20
36
1
344.29