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-1182324
-6.622396
-1.558817
4.114221
other
Nb6Co7
13
166
218.51
mp-1223919
-7.818877
-1.628087
3.531389
other
Ir1Rh1
2
166
28.08
mp-1225796
-5.308297
-2.854556
-4.307906
other
Cu4Se3
7
166
118.87
mp-33255
7.797527
12.244544
-0.959337
other
Ni15O16
31
166
305.99
mp-8079
-5.077981
0.771063
3.329494
other
B5W2
7
166
59.52
mp-1223666
-7.457367
-1.484878
3.698332
other
Ir4W1
5
166
74.38
mp-1222034
-8.009952
-6.724991
2.133498
other
Mg1Ag4
5
166
91.71
mp-1188333
-8.743239
-0.310003
4.844144
other
Y4Co14
18
166
256.91
mp-754353
1.868784
1.793098
2.492149
other
Zr3N4
7
166
86.38
mp-1207538
-9.529392
-4.772434
3.226909
other
Zn51Co9
60
171
843.03
mp-1098704
-4.280818
-5.009424
-3.394719
other
Ce6Se12
18
167
1,629.7
mp-1253219
6.427681
8.856763
-2.511786
other
Al2O6
8
167
101.78
mp-557076
14.781937
5.860314
-0.233741
other
Si12O24
36
167
554.33
mp-755021
10.411764
10.989485
-2.212659
other
Re2O6
8
167
108.76
mp-2068
8.711494
1.931534
-0.649977
other
Rh2F6
8
167
93.24
mp-714896
12.629644
9.904398
0.712762
other
Cr6O2
8
167
122.72
mp-861945
8.500272
1.070865
-0.125807
other
Ag4F6
10
167
152.31
mp-14787
-2.696711
-2.769722
-5.594203
other
Tm4S6
10
167
241.3
mp-541384
10.76541
-0.149464
0.284642
other
Mn2F6
8
167
105.84
mp-1079029
-4.316037
-1.180424
-6.11314
other
Al4S6
10
167
171.86
mp-2826
-2.670331
-2.751966
-5.694938
other
Lu4S6
10
167
234.8
mp-23933
3.332564
-0.700751
-2.316345
other
Al2H6
8
167
65.67
mp-861979
-5.606675
-1.070795
-3.074768
other
Ir4S6
10
167
164.67
mp-22375
-4.027597
-1.350479
-5.794075
other
In4S6
10
167
223.15
mp-568488
-6.857594
1.422282
-4.048363
other
Mo30Se38
68
167
1,607.45
mp-866083
0.736496
1.247112
2.919237
other
Zr6N4
10
167
144.77
mp-974381
-5.370504
-0.954732
-3.628969
other
Rh4S6
10
167
163.22
mp-977351
-2.727738
-2.627113
-5.58557
other
Ac4S6
10
167
328.46
mp-1187591
0.701198
1.314069
2.708725
other
Ti6N4
10
167
111.86
mp-1196561
-5.685421
-1.304632
4.042763
other
Ti42Re50
92
167
1,538.47
mp-1183524
9.549386
8.520955
-0.546161
other
Bi4O6
10
167
160.56
mp-680653
-6.272132
-6.973783
4.065726
other
Yb32In12
44
167
1,428.08
mp-18937
13.224402
12.734543
-0.835614
other
V4O6
10
167
100.56
mp-672684
-5.632649
-5.572373
0.506155
other
Zn12Sb10
22
167
531.75
mp-2437
8.827195
2.062175
-0.184458
other
Ir2F6
8
167
97.36
mp-19770
8.432203
13.335333
-1.207676
other
Fe4O6
10
167
103.11
mp-1074039
-3.462802
-8.106903
7.292145
other
Mg18Si10
28
167
543.44
mp-552113
12.58048
11.440764
-1.557487
other
V4O6
10
167
186.77
mp-557771
14.506206
6.127814
-0.536625
other
Si12O24
36
167
787.98
mp-561428
9.367712
1.067963
-0.830019
other
Ni2F6
8
167
84.66
mp-569570
-5.325968
-7.200572
1.814899
other
K16Tl22
38
167
1,590.63
mp-35200
6.420395
8.865047
-2.511071
other
Al2O6
8
167
101.44
mp-588
8.905
1.526625
0.340115
other
Ga2F6
8
167
91.53
mp-863259
-2.611764
-2.726624
-5.532357
other
Pm4S6
10
167
275.64
mp-978968
12.442891
9.525431
2.253812
other
Ti6O4
10
167
111.69
mp-7586
-8.352122
-0.38225
2.342332
other
Ni6C2
8
167
76.65
mp-29013
-4.051029
-5.259922
5.513027
other
Ca28Si38
66
167
1,488.37
mp-1096882
0.108811
2.155508
2.271724
other
Cr6N4
10
167
89.91
mp-14513
-6.331326
-1.133344
1.07352
other
Ni32P12
44
167
473.45
mp-557539
9.512783
2.298109
1.373187
other
Mo2F6
8
167
110.67
mp-684890
8.219634
1.48632
0.189766
other
Tb8F30
38
167
611.75
mp-952567
-5.509117
-0.592617
-4.026721
other
Fe4S6
10
167
140.78
mp-1143
12.468239
7.613045
0.460044
other
Al4O6
10
167
87.42
mp-1190699
6.715825
4.979356
-4.672734
other
C8O16
24
167
335.87
mp-582929
-5.561108
-7.011919
2.537216
other
K16In22
38
167
1,525.29
mp-559473
9.612411
0.749354
-1.003815
other
Co2F6
8
167
86.98
mp-1183728
-5.742894
-0.728465
-3.914662
original
Co4S6
10
167
139.32
mp-7570
8.911779
2.183812
0.523173
other
Ru2F6
8
167
97.56
mp-1078568
0.738611
2.322275
1.241742
other
Pd6N2
8
167
110.25
mp-6949
8.56388
1.409369
0.633441
other
In2F6
8
167
115.11
mp-640712
-5.229328
-6.845703
2.167304
other
Rb16In22
38
167
1,638.23
mp-22323
10.300824
9.091029
0.139436
other
In4O6
10
167
128.17
mp-541846
13.74612
7.404001
-5.817468
other
P16O36
52
167
661.56
mp-864635
1.523942
2.484324
-5.425474
other
Ag4Cl6
10
167
229.46
mp-705480
10.056544
0.610143
-0.260547
other
Mn6F24
30
167
375.72
mp-862982
-0.58671
1.137133
-4.31794
other
Ag4Br6
10
167
264.18
mp-770543
8.819588
14.956347
-0.96519
other
Mn4O6
10
167
107.68
mp-19399
11.41422
13.124189
-0.219073
other
Cr4O6
10
167
97.67
mp-574458
-5.777509
-1.638507
4.110612
other
Zr42Re50
92
167
1,716.71
mp-1203605
-5.822999
-1.474339
4.16521
other
Hf42Re50
92
167
1,678.65
mp-1243
11.786971
8.25348
-0.465411
other
Ga4O6
10
167
96.97
mp-755313
10.707462
8.636277
3.174465
other
Sc4O6
10
167
117.69
mp-16480
-8.49824
-5.895844
2.31783
other
Al12Au32
44
167
761.8
mp-1202079
-6.710008
-1.256973
4.486495
other
Ti42Mn50
92
167
1,238.23
mp-685077
-6.339423
-2.18443
-0.502236
other
Fe4Te6
10
167
179.8
mp-556027
14.17287
5.895788
-0.510202
other
Si6O12
18
167
368.74
mp-1179845
6.681202
5.956514
-3.766371
other
Pt2O12
14
167
186.44
mp-1191566
-5.684594
-5.525084
0.494035
other
Zn12Sb10
22
167
524.07
mp-864675
1.819172
1.981349
1.418338
other
Yb6N4
10
167
176.4
mp-541787
-5.962998
-7.327513
2.705989
other
Na32Hg12
44
167
1,252.23
mp-1198995
-7.18765
-4.131011
0.982978
other
Sb12Pd32
44
167
737.83
mp-669510
-5.560431
-6.142786
0.974878
other
Cd12Sb10
22
167
1,413.95
mp-13679
8.485523
1.869605
-0.722255
other
Pd2F6
8
167
102.4
mp-1301
-3.157699
-2.062414
-5.069303
other
Yb4S6
10
167
269.03
mp-754759
10.022038
8.481634
3.194527
other
Y4O6
10
167
145.47
mp-1006815
3.579964
-0.888789
-2.705218
other
Cs2H6
8
167
137.4
mp-570025
-8.302892
-9.009044
4.323654
other
Mg42Zn50
92
167
1,634.63
mp-542734
8.561529
11.694475
-0.860742
other
Rh4O6
10
167
106.05
mp-862869
-3.117176
-2.98014
-4.056144
other
Pa4S6
10
167
250.18
mp-560338
9.894663
1.38037
0.432124
other
Cr2F6
8
167
92.6
mp-862796
-3.984041
-1.78009
-3.309306
other
Pu4S6
10
167
267.67
mp-559931
10.374409
2.772383
1.595886
other
V2F6
8
167
99.16
mp-1190320
-5.951991
-4.934908
5.009771
other
Al12Ge10
22
167
441.37
mp-638035
8.487324
5.081825
-1.821833
other
Si6O12
18
167
185.79
mp-22398
10.226763
0.528442
0.090337
other
Fe2F6
8
167
98.26
mp-867185
11.711121
8.87633
2.535311
other
Pu6O4
10
167
186.33
mp-468
9.236476
0.949789
1.064708
other
Al2F6
8
167
85.43
mp-28112
1.300116
2.422439
-5.320737
other
In10Cl18
28
167
790.08
mp-978093
-2.673515
-2.698323
-5.641313
other
Ho4S6
10
167
248.45
mp-28044
1.217555
1.890726
-5.196952
other
Tm2Cl6
8
167
216.67