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-555050
10.5046
11.469192
3.27691
other
Ba4Nb8O24
36
20
507.13
mp-5843
14.063825
6.901911
-5.802195
other
Ce2P6O18
26
20
355.98
mp-989586
0.750768
2.015538
1.908032
other
Sr2Tc2N6
10
20
153.29
mp-771147
13.505525
5.558445
-6.878837
other
Dy4P8O26
38
20
519.95
mp-560521
13.04845
6.191984
-6.732716
other
Be4P8O24
36
20
449.55
mp-1213095
7.507941
9.19022
0.094026
other
Eu6Ta2O14
22
20
317.27
mp-510674
7.392953
9.22856
0.202169
other
Eu6Nb2O14
22
20
315.58
mp-1203981
6.16218
5.777953
-4.475282
other
Y4N12O50
66
20
1,015.49
mp-1212908
7.329433
9.366188
0.126174
other
Eu6Sb2O14
22
20
317.05
mp-27336
-0.483508
1.350978
-4.791379
other
Cs4Cu4Br12
20
20
627.38
mp-755660
10.416441
9.51194
3.261346
other
Lu6Ta2O14
22
20
280.53
mp-1178471
13.721331
4.21841
-2.389321
other
Cs4B36O54
94
20
1,215.04
mp-29799
5.944625
8.942527
-1.497674
other
K12Bi12O36
60
201
1,020.09
mp-568397
0.666015
3.424402
-4.716055
other
Cu8Mo24Cl56
88
201
2,156.4
mp-5032
7.704457
10.95347
1.165458
other
La12Ru12O44
68
201
869.22
mp-29717
-1.632161
2.578992
-4.913059
other
Ag4W24Br56
84
201
2,605.86
mp-1201737
7.530931
5.600481
-3.110341
other
Ca4Sn4O24
32
201
417.47
mp-569225
-1.750338
2.101203
-3.138703
other
Mo24Pb4I56
84
201
3,274.81
mp-1201044
6.917987
5.958205
-3.687845
other
Cd4Pb4O24
32
201
490.95
mp-760812
9.773078
0.445888
-0.103793
other
Li12Cu4F24
40
201
409.79
mp-772189
8.327346
10.918344
-0.031498
other
Bi12Ir12O44
68
201
855.32
mp-27779
0.61551
3.469593
-4.638197
other
Hg4Mo24Cl56
84
201
2,158.9
mp-29052
-1.619088
2.612945
-4.929928
other
Cd4W24Br56
84
201
2,576.47
mp-1202032
7.692381
5.710628
-2.991729
other
Fe4Sn4O24
32
201
350.03
mp-1203320
0.63906
3.71939
-5.298676
other
Co4W24Cl56
84
201
2,086.94
mp-30059
9.490334
9.927914
-1.242848
other
Tl8Sb12O36
56
201
882.18
mp-560373
8.530966
10.38796
-0.5351
other
Bi12Pt12O44
68
201
832.37
mp-504468
8.240175
10.790216
0.48283
other
Bi12Ru12O44
68
201
831.03
mp-583553
0.622313
3.425575
-4.717001
other
Mo24Pb4Cl56
84
201
2,260.49
mp-769111
10.321751
9.150247
1.115476
other
Sc12Bi12O44
68
201
908.4
mp-639811
7.651992
10.788675
-0.209013
other
K12Ir12O36
60
201
853.93
mp-768523
7.681586
10.850761
0.165931
other
La12Pt12O44
68
201
861.81
mp-649327
-1.72841
2.006898
-4.474541
other
Mo24Pb4Br56
84
201
2,669.39
mp-571184
-1.743347
1.869095
-4.492609
other
Cu8Mo24Br56
88
201
2,591.98
mp-772194
6.127917
8.679903
-0.528724
other
La12Bi12O44
68
201
1,052
mp-27526
8.277358
0.808334
1.197998
other
K12In4F24
40
201
719.03
mp-29557
0.669357
3.707108
-5.310675
other
Cu8W24Cl56
88
201
2,170.84
mp-9612
7.57435
10.762278
0.73365
other
La12Ir12O44
68
201
878.25
mp-1197576
0.788535
3.634334
-5.227366
other
Fe4W24Cl56
84
201
2,027.29
mp-14607
9.627765
9.71048
-0.64107
other
K12Sb12O36
60
201
884.65
mp-27525
8.290118
0.777428
0.919369
other
K12Tl4F24
40
201
752.82
mp-23370
-1.636465
2.600708
-5.031356
other
Cu8W24Br56
88
201
2,613.65
mp-24239
6.501732
0.395563
-3.516571
other
K2B12H12
26
202
292.53
mp-726105
5.968601
5.26307
-4.385761
other
Co1N9O12
22
202
305.42
mp-1246465
0.386874
2.393618
2.041142
other
Sr3Mn12N12
27
202
291.53
mp-24136
6.541607
0.389486
-3.513144
other
Cs2B12H12
26
202
351.17
mp-1216806
-5.015178
-1.293412
4.607552
other
U2Be25Ga1
28
202
270.99
mp-1210379
-8.025148
-4.841929
5.027679
other
Sc50In3Rh13
66
202
1,411.67
mp-31064
6.730683
0.30659
-3.446635
other
B12H20N2
34
202
319.06
mp-1211296
6.444904
0.375345
-3.588526
other
Li2B12H12
26
202
260.08
mp-23691
6.433177
0.345672
-3.519061
other
Tl2B12H12
26
202
303.08
mp-1216830
-5.047477
-1.264463
4.660476
other
U2Be25Cu1
28
202
272.71
mp-1194744
-6.166718
-2.849412
-2.295309
other
Cs3Cu20Te13
36
202
829.59
mp-1210294
-8.170784
-4.663787
5.044364
other
Sc50In2Ir14
66
202
1,377.37
mp-867673
7.687341
10.979743
-0.771935
other
Na3Pt12O16
31
202
367.36
mp-24123
6.54378
0.385441
-3.523
other
Rb2B12H12
26
202
321.95
mp-765360
7.695507
11.021534
-0.823227
other
Ni1Pt12O16
29
202
365.61
mp-1197192
8.243672
0.723609
0.850575
other
K24Tl8F48
80
203
1,578.43
mp-1197644
8.231667
0.780943
1.208153
other
K24In8F48
80
203
1,504.69
mp-29947
-4.198447
-2.130055
-3.353236
other
K6P2Se32
40
203
1,152.2
mp-29501
-4.322571
-2.271981
-3.340919
other
Rb6As2Se32
40
203
1,215.74
mp-1179380
3.326322
-0.560026
-2.562332
other
Rb16Ga10H30
56
203
1,194.75
mp-1201604
13.295878
5.352387
-2.646728
other
Cd16B8O32
56
203
707.52
mp-1029616
1.524559
2.118406
1.993138
other
Ba12Ta24N48
84
205
1,448.31
mp-1196533
6.275025
4.95385
-4.50251
other
Cs8N8O24
40
205
805.47
mp-504722
6.132783
5.206144
-4.401031
other
Ni4N8O24
36
205
402.35
mp-752445
10.461662
12.298909
-4.08532
other
Ti4V8O28
40
205
632.4
mp-20820
6.161816
5.019993
-4.459141
other
Pb4N8O24
36
205
478.66
mp-18684
8.625275
1.81344
-0.582343
other
K4P4F24
32
205
427.91
mp-18293
13.107088
6.201368
-7.069381
other
Si4P8O28
40
205
462.55
mp-2983
3.375964
2.637467
0.741712
other
Ba12P24N48
84
205
1,083.15
mp-12147
11.755695
7.55125
1.299167
other
Ca72Al48O144
264
205
3,658.6
mp-554219
10.298594
9.511602
-1.952319
other
U8Te24O72
104
205
1,515.74
mp-1204060
9.483968
7.113369
-3.762577
other
Ge4Se8O24
36
205
474.21
mp-771046
6.214489
5.036901
-4.539344
other
Mg4N8O24
36
205
428.54
mp-1203526
-0.49218
1.517525
-4.268373
other
Cd32As16Br24
72
205
2,075.27
mp-23453
-0.569458
1.165824
-4.184316
other
Hg24Sb20Br28
72
205
2,289.15
mp-1245516
1.758494
2.174242
1.368915
other
Li56Os8N32
96
205
935.53
mp-14753
1.969692
2.282624
1.520326
other
Li56Ta8N32
96
205
925.73
mp-505687
14.275526
8.628032
-4.762932
other
P8W4O28
40
205
566.55
mp-14827
1.908719
2.223743
1.533048
other
Li56Nb8N32
96
205
930.64
mp-773503
10.115114
12.200548
-4.055657
other
V8Cr4O28
40
205
644.04
mp-1210045
6.718264
6.964189
-3.743269
other
Ni4Cl8O48
60
205
893.67
mp-1211990
-4.566769
-6.396297
2.192793
other
K28Na4Ge32
64
205
2,172.65
mp-1245349
1.763839
2.23887
0.824681
other
Rb56V8N32
96
205
3,128.46
mp-5156
14.024953
5.331881
-6.99581
other
Th4P8O28
40
205
721.1
mp-1246122
0.861613
2.566706
1.781332
other
V24Pb12N48
84
205
1,203.07
mp-1210370
6.632255
7.156976
-3.481359
other
Ni4Br8O48
60
205
872.31
mp-29044
-1.062624
2.615266
-3.155418
other
Cd32Sb16I24
72
205
2,566.86
mp-1245360
1.871355
2.172555
1.059458
other
Na56V8N32
96
205
1,400.17
mp-3949
-3.637755
-5.390728
5.581698
other
K28Li4Si32
64
205
1,951.97
mp-773430
11.370314
12.144346
-3.541454
other
Nb4V8O28
40
205
708.61
mp-771650
9.748903
10.595493
-4.462684
other
V8Si4O28
40
205
576.75
mp-1196581
13.099267
5.921643
-6.288058
other
K48P48O144
240
205
4,158.24
mp-555340
8.141709
2.138984
-0.998493
other
As4I4F48
56
205
793.31
mp-567485
-8.58781
-6.226635
2.529792
other
Ca8Ga8Au24
40
205
777.07
mp-505406
13.557518
8.63155
-5.738615
other
Mo4P8O28
40
205
591.63
mp-29746
0.831399
1.8348
-5.021309
other
Cd32P16Cl24
72
205
1,836.07
mp-849286
-3.559852
-1.482135
-5.646679
other
Ba12Ga24S48
84
205
2,083.88
mp-14407
-4.394673
-6.299387
1.897334
other
Rb28Na4Ge32
64
205
2,386.93