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-1042928
10.971751
10.994441
-3.921587
other
Fe4Mo6O24
34
2
541.01
mp-1293032
9.203112
14.965917
0.09863
other
Li10Mn8O16
34
2
327.16
mp-541667
-1.742401
0.575272
-3.897161
other
Nb2Se4Br4
10
2
277.29
mp-1174228
4.244575
19.281424
-1.845384
other
Li8Co6O14
28
2
247.91
mp-1366652
7.657682
5.544963
-1.781912
other
Li8Co6O14
28
2
247.09
mp-1193651
7.180603
7.026719
-3.707956
other
Lu2I6O22
30
2
476.79
mp-675539
7.617982
10.172435
-0.224634
other
Na7Cu3O8
18
2
230.63
mp-550886
12.805436
7.694741
-6.626185
other
Co4P4O14
22
2
234.96
mp-759048
10.4255
0.88028
1.633459
other
Li18Mn18F54
90
2
1,192.99
mp-1220120
-7.410032
0.831242
5.088363
other
Pr4Fe29Si5
38
2
529.61
mp-1246509
0.941841
2.301564
1.671851
other
Ca6Co6N10
22
2
278.12
mp-531119
10.793736
11.44966
2.356722
other
Ta8Zn16O36
60
2
729.35
mp-1179551
10.70671
11.621054
2.36868
other
Ti2Cd2O6
10
2
195.39
mp-555236
10.485883
9.346575
-1.978684
other
Tm4Te10O26
40
2
598.67
mp-27224
6.737918
10.706777
-0.998983
other
Na8Co2O8
18
2
245.02
mp-776604
10.391906
1.709452
2.148311
other
Li12Fe12F36
60
2
682.93
mp-29496
-0.660406
1.332872
-4.154234
other
Pd1Se2Br6
9
2
295.49
mp-774863
-5.649519
-1.090602
-3.978755
other
Li1Ni9S10
20
2
268.36
mp-756510
10.050737
8.97157
0.560894
other
K8Ti2O8
18
2
340.84
mp-772571
6.757493
12.088005
-1.650585
other
Li8Cr2O10
20
2
172.83
mp-1247512
0.477288
2.49297
1.985119
other
Mo4W4N12
20
2
297.32
mp-1188654
1.887226
2.896036
-4.665458
other
W4N4Cl12
20
2
529.82
mp-1308491
9.208467
14.868076
0.084328
other
Li10Mn8O16
34
2
332.53
mp-1235061
14.356994
6.901568
-0.646051
other
Li1Si6O12
19
2
259.32
mp-1195479
9.51048
5.66364
-5.85995
other
Te8S8O40
56
2
812.18
mp-1045978
12.872812
10.050102
0.314747
other
Zn2W9O13
24
2
313.05
mp-762930
5.858819
12.955678
-1.493086
other
Li3Ni5O10
18
2
167.61
mp-758331
10.716045
11.495555
3.34762
other
Nd2Ta6O18
26
2
372.05
mp-1205464
0.736336
1.145423
-3.73857
other
Gd6Co1Cl10
17
2
485.62
mp-23791
11.634854
3.987168
-3.667485
other
B4H12O12
28
2
249.23
mp-1045606
13.228765
7.110001
-6.454369
other
Sb2P8O24
34
2
498.52
mp-635020
9.087659
8.523232
-0.392191
other
Cs12Bi8O18
38
2
973.93
mp-505225
13.565332
7.260681
-4.783276
other
U4P4O20
28
2
417.06
mp-785427
7.807265
5.308373
-1.981098
other
La4Ti6O18
28
2
377.04
mp-774359
10.278461
2.424043
0.120463
other
V6O2F22
30
2
411.25
mp-18849
14.418719
8.009425
-5.15872
other
Fe4P4O14
22
2
243.19
mp-559159
10.70137
8.016131
-4.555656
other
Cu8As4O18
30
2
361.98
mp-689981
10.466631
8.249661
-7.564306
other
Mn4P4O16
24
2
324.35
mp-758120
6.149164
8.641768
-0.18875
other
Ba13Bi11O36
60
2
1,044.2
mp-1045166
9.045582
12.34803
-0.707132
other
Zn4Co4O8
16
2
195.67
mp-1214340
5.849345
2.554978
-3.175536
other
C60Br4Cl24
88
2
1,471.59
mp-1192552
11.340982
7.443025
-3.75498
other
K6As6O18
30
2
525.98
mp-1216228
-7.713376
1.065447
4.950196
other
Y4Fe34C3
41
2
529.79
mp-561380
9.93862
9.4666
-2.02437
other
Ag4Te8O22
34
2
446.64
mp-650392
13.940952
8.135515
-1.11283
other
Fe18Si18O54
90
2
1,045.15
mp-1370240
10.073251
7.540436
-5.934461
other
Bi2P4O14
20
2
330.23
mp-1175313
7.028195
19.623278
-0.191534
other
Li14Mn10O24
48
2
441.87
mp-1222248
10.98262
13.37363
-0.201348
other
Mn10Cr8O24
42
2
481.36
mp-28450
13.065149
6.887619
-7.15195
other
Li8P4O14
26
2
280.94
mp-1643948
7.035608
19.582165
-0.191732
other
Li14Mn10O24
48
2
443.37
mp-1214830
6.609588
1.405746
-3.711853
other
B6H12C12
30
2
486
mp-1237359
8.108792
1.137204
0.953723
other
Rb3Sb1F6
10
2
352.27
mp-1175381
6.565074
14.810148
-1.601825
other
Li9Co7O16
32
2
252.51
mp-1179277
12.328424
5.322077
-2.662466
other
Tl8B16O34
58
2
897.67
mp-24817
3.470391
-0.647918
-2.26122
other
Li6Be6H18
30
2
240.93
mp-1206139
8.291757
1.374322
0.764279
other
Na3Sb1F6
10
2
307.06
mp-1180493
10.214391
5.471641
-4.373306
other
Mo2H8O10
20
2
203.13
mp-1207831
9.950637
9.503558
1.031699
other
Tm4Sb4O16
24
2
290.96
mp-1173960
4.338509
18.805521
-1.858474
other
Li6Co4O10
20
2
169.52
mp-27445
8.194427
2.352475
-1.04114
other
As2I6F12
20
2
468.85
mp-755502
11.581857
-0.250987
1.390738
other
Mn6O2F10
18
2
230.94
mp-1216835
-4.791848
0.261142
-4.516028
other
Tl1V12S16
29
2
499.63
mp-773131
11.20795
12.384198
2.099449
other
Ba2Ti28O56
86
2
1,098.24
mp-766253
9.921706
8.741481
3.284463
other
La2Th11O26
39
2
576.39
mp-1042860
11.2318
11.277861
-3.039619
other
Fe4W6O24
34
2
549.07
mp-1105000
9.925768
10.77332
-3.823074
other
Mn2Mo2O10
14
2
217.33
mp-776094
10.198812
0.37529
0.050604
other
Li2Fe2F8
12
2
130.71
mp-572871
9.822599
12.30772
-4.073498
other
V6Co3O18
27
2
311.07
mp-28060
-5.882575
-3.320395
-2.15217
other
Li6Ge6Te12
24
2
704.21
mp-1246255
0.902519
2.191823
1.96639
other
Ba6Cr6N10
22
2
356.94
mp-1192192
5.414958
3.302287
-4.099613
other
C6S14O2
22
2
503.87
mp-1273857
13.757414
8.87069
-1.189555
other
V2Si2O7
11
2
123.56
mp-1399607
-4.639472
-2.343839
-3.56544
other
Cr2Co1Se4
7
2
139.16
mp-15387
9.225845
0.733658
0.445727
other
Ba6Cu11F34
51
2
690.41
mp-1212881
-8.113293
-4.319436
4.510832
other
Er4Al24Pd9
37
2
623.41
mp-1232212
-4.502384
-3.741884
-3.757844
other
Yb8Mg4Se16
28
2
715.6
mp-15391
10.098208
9.647744
-1.129327
other
Na8Te2O10
20
2
240.47
mp-1219303
-3.892625
-1.536429
-5.814091
other
Si6Ag20S22
48
2
1,003.52
mp-1214328
8.298877
2.06512
-0.235373
other
Co3Pt1F6
10
2
410.21
mp-685527
6.49866
11.252211
0.537136
other
Sr18Fe18O47
83
2
1,128.78
mp-676874
10.250172
10.643842
3.345886
other
Dy12Ti12O42
66
2
814.78
mp-1216478
-4.971471
0.182993
-4.699559
other
V7Cu2S12
21
2
325.18
mp-654051
-1.362346
1.62053
-2.365207
other
Nb12S2I18
32
2
1,084.36
mp-1219934
-6.451958
-2.747072
-1.742454
other
Rb3Cr20Te32
55
2
1,534.9
mp-759284
13.22524
0.362923
0.854322
other
Fe16O16F16
48
2
560.08
mp-1179259
6.295418
5.508784
-4.393868
other
Tb2N6O30
38
2
644.33
mp-759623
10.471706
0.216208
0.255884
other
Li6Mn6F24
36
2
522.47
mp-1246258
1.331475
1.7533
2.32208
other
Ca6Ta6N10
22
2
337.54
mp-585266
9.966496
8.189348
-6.721317
other
Mn4P8O28
40
2
559.31
mp-772529
10.944055
11.378797
-2.177481
other
Y4W4O18
26
2
335.01
mp-1227785
10.75711
11.467418
3.117585
other
Ce4Nb12O36
52
2
751.63
mp-697734
11.374447
8.385157
-6.312517
other
Mo2P8O26
36
2
550.36
mp-1212235
8.128517
1.958403
-0.477162
other
Pd1Pt3F6
10
2
495.9
mp-531566
7.61163
11.779865
2.169731
other
La16Mn14O48
78
2
971.72
mp-559700
8.398161
13.176582
0.167005
other
Rb6Mn6O12
24
2
411.79
mp-867782
12.274434
-0.569016
0.247619
other
Mn2O2F2
6
2
79.41
mp-756446
6.237455
13.434556
-1.350187
other
Li5Ni5O10
20
2
172.28
mp-616514
2.958698
2.754286
-3.667715
other
S4I8N8
20
2
584.45
mp-27878
10.641489
9.302869
-0.501677
other
Na2Sb10O16
28
2
471.89
mp-1306070
15.154609
12.571173
-0.84292
other
V6O8F4
18
2
202.17