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-703302
-4.774003
-2.758781
-3.989618
other
Cd9In20Se40
69
1
1,912.71
mp-758315
8.860104
15.24609
-0.256996
other
Li12Mn21O36
69
1
700.73
mp-2229377
10.936653
13.273324
-3.53487
other
Mg1V5O12
18
1
212.33
mp-753075
9.017015
12.458879
-0.056862
other
Li12Mn2O9
23
1
235.79
mp-2218452
6.495295
13.590802
-2.216802
other
Mg1Co4O8
13
1
136.12
mp-1219556
-6.311066
-3.109945
-0.747818
other
Sb8Te16Pd12
36
1
888.35
mp-2228915
11.142897
12.589914
-3.543642
other
Mg1V5O12
18
1
256.25
mp-850966
12.809597
-1.138795
0.695479
other
Mn12O10F14
36
1
422.2
mp-1317675
12.043063
13.234021
-2.473356
other
Ti2V6O16
24
1
290.98
mp-1291746
8.912642
14.851232
-0.388627
other
Mg4Mn8O16
28
1
313.45
mp-2224720
11.079981
10.864381
-3.369642
other
Mg1Mo4O12
17
1
222.01
mp-780274
1.680565
1.805603
2.947157
other
Hf16N16O8
40
1
502.45
mp-1173208
8.979582
1.126039
1.246599
other
Sr10Cr6F38
54
1
793.05
mp-1245289
9.447415
12.938992
-1.417935
other
Cr8Fe24O48
80
1
995.35
mp-850744
12.862544
7.430998
-1.950787
other
Fe9Si6O24
39
1
592.85
mp-1220147
-2.764821
-2.509932
-5.822701
other
Pr12Ge5S28
45
1
1,064.16
mp-1290242
6.52231
13.861451
-1.927438
other
Na6Co10O20
36
1
395.68
mp-1233165
11.871757
10.975869
-2.583936
other
Mg1Mo6O16
23
1
322.94
mp-1376078
8.098317
4.462792
-1.116417
other
V6O3F15
24
1
322.68
mp-1179589
8.308842
4.327028
-6.547879
other
U2C4O14
20
1
306.56
mp-626165
10.611039
3.562114
-4.054623
other
Na2H18O10
30
1
283.5
mp-779445
10.332432
2.493162
0.058014
other
V6O2F22
30
1
376.71
mp-675130
-4.085344
-4.262782
-3.708835
other
Tb24Pb4Se40
68
1
1,712.61
mp-1177024
7.203506
13.073255
-1.352435
other
Li6Co5O10
21
1
252.63
mp-685365
10.688255
13.084592
-0.406816
other
Ti7Fe13O30
50
1
536.04
mp-531968
-4.818035
-6.220298
0.72555
other
K16Ba24Sb32
72
1
3,146.54
mp-759573
12.846269
-1.187935
0.799243
other
Mn6O5F7
18
1
212.44
mp-757971
8.946439
12.449838
-1.559439
other
Li7Cr2O8
17
1
184.35
mp-685992
1.525499
2.351767
-5.332661
other
Li8Cr4Cl16
28
1
586.55
mp-1222220
-6.924583
1.452044
-4.141668
other
Mg1Mo6Se8
15
1
319.17
mp-766238
1.877044
1.759536
2.828353
other
Zr16N16O8
40
1
522.74
mp-1182671
10.636788
5.784763
-4.295182
other
Fe16H20O34
70
1
692.35
mp-1097712
12.612019
10.558886
-0.022802
other
Na4W4O10
18
1
255.64
mp-677636
10.43137
10.120665
3.274074
other
Sr22Nb10O47
79
1
1,265.15
mp-849631
11.086837
0.285272
1.675818
other
Mn12O2F22
36
1
473.43
mp-763328
9.498765
1.026994
-0.982825
other
Co4O1F11
16
1
196.49
mp-1216204
-7.115928
-3.441715
4.437639
other
Zr6Ga9Co3
18
1
305.27
mp-1387273
12.578537
10.035738
0.572807
other
Mg4W4O8
16
1
195.27
mp-1220567
-5.816135
-0.790373
2.532448
other
Ni4Mo32P12
48
1
692.85
mp-626829
9.986993
5.308599
-4.10887
other
Re2H6O10
18
1
229.6
mp-625576
10.519711
6.350531
-4.384669
other
Mo2H4O8
14
1
168.98
mp-676637
-1.272729
2.180179
-2.322181
other
Na8U4I24
36
1
1,720.25
mp-1272234
6.448979
13.154785
-1.971234
other
Co2Ni2O6
10
1
96.03
mp-625641
10.2666
3.084054
-3.996559
other
H36Br4O16
56
1
569.92
mp-504897
13.800952
6.806765
-6.195631
other
Ce2P10O28
40
1
564.66
mp-2633954
6.376791
9.318887
-1.996116
other
Bi2W1O8
11
1
161.85
mp-761117
11.878596
11.267018
-1.92875
other
Na7W13O39
59
1
788.28
mp-1181737
11.394907
7.396399
-1.895385
other
Ge6Pb6O20
32
1
540.11
mp-1372695
-5.353489
-3.475013
-1.328597
other
Y7Cu3Te12
22
1
693.68
mp-686026
-1.348892
1.658635
-2.44434
other
Nb24I35Br9
68
1
2,414.66
mp-625199
12.036875
6.180486
-0.159763
other
Sc2H2O4
8
1
91.87
mp-1179527
13.443643
7.51826
-1.265662
other
Si20H20O30
70
1
970.32
mp-675179
8.261436
1.324609
1.271578
other
Ba3Bi2F12
17
1
303.66
mp-757825
10.877502
12.420932
2.070863
other
Mg11Ti25O60
96
1
1,124.21
mp-780207
8.706462
12.348625
-0.178451
other
Li20Fe4O16
40
1
413.32
mp-2228388
10.775614
13.289853
-3.613184
other
Mg1V5O12
18
1
204.58
mp-1372548
7.478694
4.942847
-1.69494
other
Nb4H4O12
20
1
240.28
mp-705844
11.306552
10.837273
-3.426852
other
Mo5O12F3
20
1
299.86
mp-1290895
3.921908
19.102779
-1.85332
other
Li8Co4O12
24
1
208.14
mp-767807
7.805698
13.853252
-1.652359
other
Mn4Co8O16
28
1
286.27
mp-675383
-5.841523
1.48187
-4.869992
other
Li6Mo12S16
34
1
586.08
mp-778188
8.96951
15.339058
-1.491972
other
Mn12O17F7
36
1
382.22
mp-1219345
-7.58438
0.9201
5.04806
other
Sm4Fe31Si3
38
1
510.6
mp-626564
10.463564
3.751989
-4.143551
other
Ca2H32O20
54
1
426.59
mp-753008
6.126737
11.526777
-1.767412
other
Li13Fe2O12
27
1
248.55
mp-675745
-5.584215
1.23298
-4.572236
other
Cu2Mo12S16
30
1
541.37
mp-1247817
-8.06913
0.175005
4.712729
other
B4Mo1Ru2
7
1
77.96
mp-850991
12.725981
-0.072182
-0.031164
other
Mn12O14F10
36
1
402.95
mp-775438
11.02773
2.85937
1.289872
other
V8O4F20
32
1
434.48
mp-1101106
11.470778
12.812446
0.232483
other
Ti7Fe9O24
40
1
435.21
mp-2219274
10.140914
13.709113
-1.179099
other
Mg1Cr4O8
13
1
137.02
mp-2214604
6.201195
13.418387
-2.196394
other
Na1Co3O6
10
1
99.97
mp-1219404
10.555026
10.239573
3.177055
other
Sc4Ti3O12
19
1
208.99
mp-1176462
11.578526
-0.21699
1.419926
other
Mn6O2F10
18
1
234
mp-759703
5.807672
12.876169
-1.601844
other
Li12Ni11O28
51
1
460.73
mp-1047286
8.685428
14.604879
-0.302628
other
Ca6Mn12O24
42
1
533.32
mp-777516
12.854582
-1.176214
0.786453
other
Mn6O5F7
18
1
212.8
mp-1102399
14.393323
7.975815
-5.323089
other
Fe4P4O14
22
1
257.34
mp-1101241
12.390574
13.164677
-1.478143
other
V14Fe5O32
51
1
578.99
mp-774320
11.786289
-0.514594
1.196256
other
Mn12O5F19
36
1
452.67
mp-1179550
8.077673
2.436881
-1.149517
other
Sc1N3F6
10
1
217.32
mp-1360299
7.407783
4.880275
-1.729687
other
Hf16N16O8
40
1
512.67
mp-1179137
-0.067457
2.369762
-3.286381
other
Tc2I12O4
18
1
714.88
mp-1216336
-2.835496
-2.458772
-5.877102
other
Y12Ge5S28
45
1
973.71
mp-675881
8.306256
1.312387
0.922267
other
Rb3Bi3F12
18
1
367.09
mp-849268
9.70693
1.016621
-0.529629
other
Ni6O2F10
18
1
204.46
mp-1228562
-6.115936
-1.397821
4.598356
other
Al9Ge3W6
18
1
275.77
mp-1173826
11.130286
7.793874
-3.932255
other
Na21As33O93
147
1
1,852.15
mp-1344387
7.859956
5.238223
-1.432529
other
Ba1V13O18
32
1
371.44
mp-1226652
-6.486603
-0.809451
1.53416
other
Co3Ni9P4
16
1
173.17
mp-779614
5.437336
12.249747
-2.458633
other
Fe10O14F6
30
1
332.68
mp-676145
11.438924
4.323053
-3.532147
other
Lu4H12O12
28
1
276.58
mp-1200473
6.312345
2.198067
-3.265296
other
H12C24N36
72
1
915.42
mp-1181354
8.737032
6.778872
-3.904394
other
Li12Se6O24
42
1
667.39
mp-776225
1.687865
1.806518
2.941227
other
Hf16N16O8
40
1
502.47
mp-1574300
10.992061
2.858162
1.279676
other
V6O3F15
24
1
330.56
mp-632480
-1.757833
0.754403
-5.128854
other
Ag3S1I1
5
1
123.34
mp-781507
7.727158
6.228672
-1.506925
other
Fe8O10F6
24
1
275.04
mp-626406
10.396563
5.593395
-4.396732
other
Fe16H20O34
70
1
696.63
mp-34898
11.251611
9.56896
4.200972
other
Zr16N8O20
44
1
543.24