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-775843
1.874807
1.760021
2.832969
other
Zr16N16O8
40
1
522.75
mp-1224773
10.645647
7.33765
-3.636314
other
K6As8O19
33
1
704.26
mp-729608
7.35269
5.957572
-1.394559
other
Na16Cd8O16
40
1
640.18
mp-685968
-3.139473
-1.362082
-5.086242
other
Ba6Nb5S17
28
1
713.21
mp-777167
12.762832
11.344299
1.424348
other
Li16Ti16O32
64
1
632.32
mp-1225371
-6.613316
-0.588884
2.131001
other
Fe20Ni16P12
48
1
527.39
mp-758044
12.527618
11.884677
1.734992
other
Li5Ti8O16
29
1
288.38
mp-675980
-2.678392
-0.263315
-5.244541
other
Cr4P12S36
52
1
1,636.93
mp-755656
10.315115
0.163776
0.487046
other
Li9Mn3F18
30
1
316.52
mp-1173441
-2.503626
0.683603
-3.74877
other
Re12Se8Br20
40
1
1,262.67
mp-867624
6.129952
13.7973
-2.04442
other
Li4Co5O12
21
1
202.69
mp-2214898
13.629515
12.269085
-3.2821
other
V4O5F7
16
1
214.7
mp-1275559
12.759125
13.183822
-0.805976
other
Li6V8O16
30
1
306.69
mp-676893
8.592312
1.181305
1.785005
other
Ca4Th1F12
17
1
230.44
mp-1643959
6.723834
13.114569
-2.312704
other
Nb2Co6O16
24
1
266.06
mp-675846
8.595307
1.181602
1.819019
other
Ca5Th1F14
20
1
268.32
mp-1041272
12.990268
10.737
-0.081296
other
Zn6Mo12O24
42
1
543.09
mp-776473
10.560839
2.336942
-0.3292
other
V4O4F12
20
1
288.99
mp-754690
12.820206
-1.163623
0.760377
other
Mn6O5F7
18
1
214.44
mp-626528
11.276015
11.791721
1.838857
other
Nb4H4O12
20
1
240.28
mp-760020
9.906055
12.479177
-4.178051
other
V12Pb1O30
43
1
565.91
mp-759094
8.527885
10.30261
2.187142
other
La24Ni12O49
85
1
1,159
mp-1192421
13.339202
4.845243
-2.193462
other
B6Pb6O15
27
1
363.96
mp-756001
5.896785
12.391417
-2.447891
other
Fe6O8F4
18
1
201.48
mp-1173176
7.449179
5.794216
-3.451804
other
Te6As12O24
42
1
915.84
mp-863413
12.516802
11.726118
0.432577
other
Sc7V9O24
40
1
442.31
mp-755080
12.801396
-0.183018
0.041604
other
Mn6O7F5
18
1
203.12
mp-699378
8.852345
13.186434
-1.197002
other
Fe20Ni10O40
70
1
758.43
mp-758530
7.604601
12.389863
-1.126421
other
Li15Cr2O12
29
1
250.45
mp-690537
9.541656
8.79414
-0.660428
other
Co2Bi11O20
33
1
533.27
mp-1360261
7.642949
4.676938
-1.780648
other
Hf16N16O8
40
1
512.52
mp-34457
1.531924
2.461212
-5.456346
other
Li12Co6Cl24
42
1
826.13
mp-854023
7.597309
4.993324
-1.8095
other
Ti16N16O8
40
1
428.1
mp-1273488
8.914016
14.851158
-0.402964
other
Mg4Mn8O16
28
1
313.91
mp-685952
-4.617921
-2.778248
-4.082782
other
Al8Hg20Se32
60
1
1,723.3
mp-766580
-7.543458
-0.833678
2.990973
other
Cr11Ni40Mo9
60
1
693.97
mp-1219579
3.158875
2.847662
-4.142678
other
Sb4Cl13F7
24
1
651.96
mp-1228327
0.047005
1.041996
-3.930479
other
Ba12Br16Cl8
36
1
1,185.68
mp-1377379
9.917465
13.57148
-0.220654
other
Mn4Zn4O8
16
1
200.94
mp-761005
12.221077
-0.910864
0.896864
other
Mn12O7F17
36
1
443.47
mp-685375
7.60677
11.863118
2.144325
other
La19Mn19O60
98
1
1,216.23
mp-676591
10.565052
12.072877
2.482377
other
Li11Nb12O36
59
1
675.02
mp-1356724
7.626297
4.696482
-1.760659
other
Zr16N16O8
40
1
538.61
mp-755878
9.423874
0.764278
-0.543561
other
Cu6O1F11
18
1
199.05
mp-674338
-4.549904
-2.307028
-3.345158
other
K16Zr12Se61
89
1
2,696.14
mp-559753
10.763871
10.772696
-3.806604
other
K12Mo20O66
98
1
1,607.26
mp-625230
11.179734
4.169634
-4.042475
other
Zn6H12O12
30
1
321.87
mp-760891
9.41732
0.885483
-0.657293
other
Cu6O2F10
18
1
203.66
mp-1102846
9.783472
5.830828
-4.209658
other
H4Se2O6
12
1
133.05
mp-1180134
6.257162
5.79012
-3.849087
other
Ni3Cl6O12
21
1
531.81
mp-530925
-5.511659
-0.75782
-4.084136
other
Fe12Ni18S40
70
1
1,033.73
mp-1233617
11.66007
12.363524
1.940837
other
Mg1Ti8O16
25
1
275.32
mp-1266390
12.787584
10.823982
-0.328448
other
Al4W4O14
22
1
261.71
mp-778698
11.727768
7.946339
0.014491
other
Ga12N4O12
28
1
376.94
mp-760859
10.523381
2.248435
-0.201599
other
V6O5F19
30
1
436.97
mp-753102
9.624622
8.566638
0.153555
other
La2Bi4O9
15
1
260.15
mp-662702
7.207073
7.326371
-3.624513
other
Na2I2O8
12
1
187.62
mp-758739
12.054029
13.497153
-1.102484
other
Li10V10O24
44
1
435.94
mp-752458
10.024694
8.418925
3.174843
other
Dy6Y10O24
40
1
595.83
mp-626305
10.242844
6.069488
-4.367161
other
Fe16H16O32
64
1
759.96
mp-696076
-3.61652
-1.63659
-5.905791
other
Sr8Al16S32
56
1
1,338.83
mp-1101221
13.582007
12.286953
-3.349425
other
V4O5F7
16
1
210.82
mp-760256
11.946648
10.591756
0.72972
other
Ba10V10O25
45
1
671.3
mp-777360
12.35583
13.287513
-1.532562
other
Li13V24O52
89
1
986.13
mp-531722
10.410768
11.934039
2.453807
other
Li10Nb12O36
58
1
674.29
mp-1178342
13.367134
0.425083
1.207065
other
Fe10O9F11
30
1
352.73
mp-1372062
7.850331
3.712495
-0.996673
other
Cs2U4F18
24
1
419.29
mp-686377
-2.92966
-2.637996
-5.70074
other
Lu20Fe10S40
70
1
1,558.33
mp-654033
8.249705
9.860062
2.081964
other
La12Cu12O30
54
1
706.51
mp-756368
10.427166
10.898141
-3.006049
other
Te1W3O12
16
1
201.38
mp-690546
9.859595
13.079988
0.004615
other
Ti6Ni6O18
30
1
300.54
mp-850934
5.119668
11.114488
-2.311721
other
Fe6O11F1
18
1
192.01
mp-781597
11.797298
-0.543775
1.166914
other
Mn12O5F19
36
1
452.38
mp-936636
-5.918364
-3.824913
-1.377201
other
Yb3Bi14Te24
41
1
1,372.08
mp-863944
11.625346
11.195745
0.667036
other
Ba10V10O28
48
1
695.75
mp-1095055
8.160818
2.569199
-1.162773
other
Fe1N3F6
10
1
178.17
mp-1179176
10.82146
6.102355
-4.664646
other
V6H12O20
38
1
482.53
mp-753199
9.701052
0.430331
-0.155727
other
Li3Cu2F8
13
1
151.24
mp-1223490
4.191339
2.378278
-2.993023
other
K4C4N4
12
1
286.26
mp-1378393
5.943835
11.171513
-1.521313
other
Pr2Ni4O12
18
1
220.6
mp-686019
10.253053
10.823589
3.25372
other
Y8Ti8O28
44
1
581.37
mp-780466
10.108382
1.14289
0.296724
other
Cr8O2F22
32
1
398.66
mp-1227102
-6.044351
-0.148065
3.409976
other
Cr46B3C9
58
1
594.48
mp-625909
8.391974
5.091908
-3.738066
other
Ba2H8O12
22
1
248.6
mp-626799
10.149145
5.3133
-4.150509
other
Re2H6O10
18
1
207.75
mp-777369
12.819561
-1.20015
0.839158
other
Mn6O5F7
18
1
213.94
mp-776474
10.56903
2.327396
-0.334206
other
V4O4F12
20
1
299.22
mp-850976
12.69692
-0.076289
-0.069155
other
Mn12O14F10
36
1
397.96
mp-1216912
-4.777887
0.276779
-4.577808
other
Tl1V12S16
29
1
524.3
mp-1226568
-8.846845
-1.135847
3.877931
other
Cr3B12Rh25
40
1
471.13
mp-1224505
-3.575263
-4.737938
0.728411
other
K12In2P6
20
1
655.79
mp-1223069
-4.083986
-4.021401
-3.710993
other
La4Se7S1
12
1
310.86
mp-1179558
4.483892
3.27505
-3.998846
other
Sb1S4N3
8
1
213.01
mp-756060
11.38902
2.949908
1.320994
other
V6O3F15
24
1
298.63
mp-1225290
-6.820281
1.341159
-4.126122
other
Fe1Mo6Se8
15
1
321.4
mp-780232
1.683763
1.806208
2.935111
other
Hf16N16O8
40
1
502.54
mp-1222102
-6.292208
-0.444077
2.82405
other
Mn12Si1P3
16
1
180.72
mp-753107
12.82206
-1.172342
0.780921
other
Mn6O5F7
18
1
213.74
mp-675119
8.294368
2.879052
-1.194664
other
Os8O16F16
40
1
697.11
mp-753334
10.800403
12.538385
-4.547299
other
V4O7F5
16
1
197.11