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-622213
-3.650163
-1.361805
-5.609929
other
Ge16S32
48
142
1,220.32
mp-697135
4.78331
0.647022
-3.311722
other
H16S8
24
142
497.3
mp-21526
-5.610629
-7.051841
2.251949
other
K16Pb16
32
142
1,281.26
mp-1080859
-4.252588
-4.933906
-3.398971
other
Ce16Se32
48
142
2,327.64
mp-1188303
-7.529891
-4.760354
2.670258
other
Sn16Rh4
20
142
480
mp-570634
-5.168395
-5.23829
0.274093
other
Cd48As32
80
142
2,164.55
mp-1212538
-5.903009
-7.022443
2.643375
other
Na32Sn16
48
142
1,509.22
mp-1201949
5.471306
0.342326
-3.077362
other
B80H64
144
142
2,854.73
mp-31277
-7.531339
-4.486898
2.753442
other
Sn16Ir4
20
142
464.34
mp-243
-0.486328
0.384851
0.063996
other
K8C8
16
142
430.72
mp-1197181
-4.930453
-4.752314
0.041874
other
Zn48As32
80
142
1,700.52
mp-570974
1.631029
2.333635
-4.930047
other
Be16Cl32
48
142
1,084.6
mp-11055
-4.874264
-6.42906
1.384595
other
Cs16Sn16
32
142
1,513.3
mp-1201508
-3.64079
-5.479645
5.504755
other
K16Si16
32
142
964.89
mp-1199496
-5.171725
-5.249141
0.295041
other
Cd48As32
80
142
2,154.06
mp-27687
-3.457114
-3.886134
0.542812
other
Li8P56
64
142
1,357.37
mp-647579
-0.230478
1.132195
-4.264229
other
Zn16Br32
48
142
1,511.31
mp-985707
-7.357086
-4.505699
2.667027
other
Co8Sn24
32
142
676.88
mp-30792
-6.176975
-7.202752
2.617116
other
Na16Pb16
32
142
996.58
mp-27161
-1.181906
2.485706
-2.938179
other
Zn16I32
48
142
1,937.11
mp-669566
-8.692176
-5.774635
2.171737
other
Zn8Au24
32
142
532.66
mp-1200287
-3.763798
-5.544433
5.307992
other
Rb16Si16
32
142
1,075.79
mp-11051
-6.336367
-6.850874
2.420463
other
Na16Sn16
32
142
946.23
mp-555165
15.155864
5.846954
0.185148
other
Si16O32
48
142
634.61
mp-568240
-4.936064
-4.747622
0.007144
other
Zn48As32
80
142
1,695.79
mp-30140
-1.018583
2.498638
-3.120268
other
Be16I32
48
142
1,707.25
mp-583213
-0.860919
2.355836
-3.326281
other
Hg16I32
48
142
2,089.4
mp-21525
-5.555757
-6.988053
2.124584
other
Rb16Pb16
32
142
1,417.87
mp-866482
-3.88112
-5.620243
5.048165
other
Cs16Si16
32
142
1,213.02
mp-29629
-3.784799
-3.928411
1.072622
other
Be48P32
80
142
1,067.37
mp-11054
-5.164943
-6.515273
1.603601
other
Rb16Sn16
32
142
1,356.5
mp-1199056
-4.304716
-6.261348
1.87681
other
Rb16Ge16
32
142
1,114.34
mp-1195785
-3.411998
-3.884714
0.517016
other
Na8P56
64
142
1,522.93
mp-542374
-5.386436
-6.645731
1.886952
other
K16Sn16
32
142
1,228.86
mp-971683
6.151064
2.302169
-3.235351
other
C9N12
21
144
196.24
mp-21688
-5.651929
-0.767787
-3.937605
other
Fe21S24
45
144
603.18
mp-571195
-6.175936
-3.310011
-2.380096
other
Zn3Te3
6
144
177.26
mp-1192099
7.594526
7.615895
-3.806576
other
B6O18
24
145
342.5
mp-531687
8.662597
1.641213
2.088607
other
Nd18F51
69
145
947.58
mp-1247924
-6.057808
-3.46558
-2.099124
other
Al4Te6
10
146
334.44
mp-1219306
-3.965982
-5.048295
5.648737
other
Si5C3
8
146
170.47
mp-1001594
7.592925
3.06538
-4.842928
other
C48O36
84
146
1,155.74
mp-31503
-6.818871
-10.377944
4.063248
other
Mg18Sn10
28
146
669.01
mp-1228988
-7.773219
-6.605853
2.369332
other
Al5Ag15
20
146
335.19
mp-680057
-7.173329
-4.125733
0.971495
other
Sb12Pd32
44
146
752.27
mp-1247927
-4.8174
-3.074332
-4.103153
other
Al4Se6
10
146
274.9
mp-1198800
-7.345938
-4.381232
0.721311
other
Bi12Pd32
44
146
804.1
mp-1194842
-5.905234
-0.689106
3.29298
other
Mo24P2
26
146
427.98
mp-849081
-5.578685
-0.109001
-5.436371
other
Cr4S6
10
146
167.98
mp-1237770
-5.910519
-0.684491
3.284604
other
Mo24P2
26
146
425.44
mp-759526
9.572819
8.564668
-0.54535
other
Bi26O39
65
146
1,129.29
mp-505363
-7.773226
-4.063553
1.65332
other
P6Pd14
20
146
302.97
mp-556516
-3.643591
-2.081082
-5.312499
other
Tl18S9
27
146
877.92
mp-667
-3.648929
-2.057362
-5.337354
other
Tl18S9
27
146
824.5
mp-32742
1.454348
1.401729
2.583399
other
U16N25
41
146
605.05
mp-757565
9.575467
13.168966
-0.901332
other
Fe41O56
97
146
1,083.48
mp-7715
8.512649
1.164915
-0.340411
other
Ag2F4
6
14
88.28
mp-27642
-0.540508
0.844637
-3.543432
other
Pa4Br20
24
14
922.01
mp-1341935
8.284709
2.151078
-0.791771
other
Sb4F20
24
14
360.36
mp-1101190
10.015344
2.573493
0.271753
other
V4F16
20
14
289.05
mp-1079139
-3.981896
-7.157502
1.835076
other
K6Co2
8
14
536.32
mp-570421
-3.659405
1.639729
2.93976
other
Sm8B20
28
14
369.59
mp-1232155
-3.412646
-1.754081
-5.340603
other
Eu4S8
12
14
268.54
mp-18856
10.223165
10.581656
-3.83678
other
Mo8O24
32
14
426.53
mp-559140
12.799242
11.054871
-0.988032
other
Mo4O8
12
14
131.56
mp-1214294
5.532594
2.937651
-3.617576
other
C28Cl32
60
14
1,260.74
mp-540829
8.704246
2.163258
-0.780195
other
Ru8F40
48
14
641.24
mp-1197923
5.67496
2.273052
-3.027403
other
C122O4
126
14
1,468.34
mp-384
-3.424752
-3.803812
0.559316
other
Mg2P8
10
14
196.77
mp-1443
8.958022
1.915156
1.022682
other
Sn6F16
22
14
339.98
mp-1208546
-5.329709
-2.603086
3.846805
other
Ta48Al38
86
14
1,404
mp-1096918
0.692213
3.086745
1.5245
other
Cr8N16
24
14
448.76
mp-1339908
8.273639
1.888497
0.189131
other
Ta4F20
24
14
414.57
mp-14285
-4.858107
-1.596492
0.76762
other
Co4P8
12
14
154.83
mp-540830
8.571143
2.235859
-0.730462
other
Os8F40
48
14
653.84
mp-753265
9.691422
2.301476
-0.189339
other
V4F20
24
14
412.78
mp-706937
6.428617
0.351769
-3.437345
other
B72H88
160
14
1,496.89
mp-1079828
5.527436
2.145638
-3.125706
other
Ir2C8
10
14
87.07
mp-1180742
6.700664
6.041517
-3.808931
other
K4O8
12
14
206.04
mp-542810
-3.039685
-0.94412
-4.809737
other
As16S16
32
14
871.86
mp-28885
-2.971639
-1.416708
-3.750953
other
P16Se16
32
14
921.6
mp-1190529
-8.401796
-4.397801
1.984129
other
B4Pd20
24
14
333.67
mp-619461
10.561869
11.173848
-3.116581
other
W8O24
32
14
459.5
mp-760250
9.688411
2.317169
-0.163052
other
V8F40
48
14
698.26
mp-2682
-6.523335
-3.4801
0.761585
other
Sb8Rh4
12
14
265.71
mp-30590
-9.737951
-4.761882
4.133935
other
La4Cu24
28
14
416.01
mp-13567
-2.936254
-2.551892
-4.980278
other
Ce4S8
12
14
270.01
mp-1853
-3.50229
-4.075887
0.587635
other
Sr6P28
34
14
809.22
mp-29866
2.173474
2.733344
-4.579132
other
Sn4Cl16
20
14
665.09
mp-619071
1.508566
2.364813
-5.083306
other
Pb8Cl16
24
14
667.72
mp-1369219
8.129469
1.357426
-0.567664
other
Bi4F20
24
14
389.25
mp-1079710
-5.694304
-2.599885
3.93491
other
U4Mo4
8
14
147.99
mp-541053
-0.905698
2.01576
-2.784246
other
Si20I40
60
14
2,958.12
mp-1182886
6.622028
8.580063
-2.678956
other
Al8O24
32
14
450.4
mp-559771
7.171153
8.345757
-0.927674
other
Pr24O44
68
14
1,118.05
mp-1179841
-3.65508
-4.367883
1.284883
other
P8Pb8
16
14
412.41
mp-1247
-6.536424
-3.357121
0.740782
original
Sb8Ir4
12
14
268.66
mp-19033
10.652307
11.174049
-3.067398
other
W4O12
16
14
212.48
mp-27358
8.649539
7.141941
-3.58581
other
Se8O20
28
14
438.17
mp-1095546
11.81903
11.081683
-0.389761
other
Re4O8
12
14
134.16