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-19403
8.74264
11.067196
1.163368
other
Ba2Ca1Mo1O6
10
225
153.57
mp-1112000
1.352855
2.527658
-6.027078
other
Cs2Sc1Tl1Cl6
10
225
351.78
mp-580541
1.246183
2.378927
-5.988449
other
Cs2Na1Sm1Cl6
10
225
319.97
mp-1111305
8.707339
1.266966
1.048159
other
Na2Ga1Au1F6
10
225
162.45
mp-1113860
8.589872
1.681266
1.49422
other
Rb2Nb1Tl1F6
10
225
216.33
mp-1111137
-0.427358
1.151265
-4.483725
other
K2Tl1Ga1Br6
10
225
369.41
mp-1110848
8.176389
1.244073
0.964202
other
K2Ag1Sb1F6
10
225
197.07
mp-1205697
10.180884
8.979908
2.401543
other
Ba2Pu1In1O6
10
225
160.51
mp-1517280
6.183187
10.41238
0.300192
other
Sr2Hf1Co1O6
10
225
130.47
mp-1110934
-1.298824
2.83454
-2.708279
other
K2Na1Mo1I6
10
225
420.24
mp-1112010
8.808622
0.53477
0.609735
other
K2Cu1Au1F6
10
225
155.87
mp-1111920
8.482578
0.667887
0.591868
other
K2Na1Au1F6
10
225
168.86
mp-1228305
7.281167
8.497645
0.016998
other
Ba2Tb1Sn1O6
10
225
162.15
mp-1113539
8.908529
0.156364
0.453609
other
Cs2Co1Ag1F6
10
225
178.99
mp-996941
-0.479041
1.239195
-4.78329
other
Cs2Rb1In1Br6
10
225
428.35
mp-1112884
-1.337153
2.730797
-2.484097
other
Cs2Nd1Cu1I6
10
225
437.37
mp-1113295
-1.287468
2.895523
-3.05653
other
Cs2Hg1Sb1I6
10
225
474.69
mp-1112988
1.474202
2.620587
-5.897607
other
Cs2Na1Ga1Cl6
10
225
291.92
mp-1112203
-0.463149
1.200801
-4.473922
other
K2In1Hg1Br6
10
225
363.63
mp-1219284
10.646246
10.483329
2.605643
other
Sc1Nb1Pb2O6
10
225
139.28
mp-1111223
1.11108
2.06847
-5.685933
other
K2Na1Sm1Cl6
10
225
319.6
mp-1205585
10.894901
8.767077
2.499704
other
Ba2Ho1U1O6
10
225
169.85
mp-989548
8.29261
0.649314
0.817206
other
Rb2Na1Tl1F6
10
225
181.9
mp-1111740
-0.470642
1.283605
-4.295337
other
Na2In1Hg1Br6
10
225
356.98
mp-1112994
1.502955
2.653235
-5.883096
other
Cs2Na1Au1Cl6
10
225
307.08
mp-13190
8.60131
0.720016
1.306456
other
K1Rb2Ga1F6
10
225
167.89
mp-1112583
8.535307
1.263315
0.857225
other
Cs2K1Ru1F6
10
225
187.64
mp-1205934
8.473925
10.916409
0.966247
other
Ba2Yb1Mo1O6
10
225
151.55
mp-1110704
1.212822
2.108447
-5.67498
other
Rb2Na1Ce1Cl6
10
225
333.57
mp-1079871
1.260582
2.433368
-6.023837
original
Cs2K1Sm1Cl6
10
225
377.01
mp-1520737
12.301727
10.330379
2.274301
other
Na1La1Nb2O6
10
225
133.37
mp-10584
7.088214
10.229846
0.627337
other
Ba2Li1Os1O6
10
225
138.32
mp-580631
1.248482
2.413567
-6.010387
other
Cs2K1Tb1Cl6
10
225
367.96
mp-1080017
1.260773
2.39392
-6.01046
other
Cs2Na1La1Cl6
10
225
347.4
mp-1110762
-1.295642
2.89509
-2.929189
other
Rb2Cu1Sb1I6
10
225
409.56
mp-1112317
8.166678
0.658423
1.048454
other
Cs1K2In1F6
10
225
232.35
mp-1110841
8.253389
1.137547
1.298123
other
K2Cu1Bi1F6
10
225
179.31
mp-1111118
1.395036
2.398354
-5.47297
other
Na2In1Cu1Cl6
10
225
254.17
mp-1112316
8.42394
0.689568
1.195073
other
Cs1K2Ga1F6
10
225
206.86
mp-1114033
1.209101
2.312295
-5.855952
other
K1Rb2Sm1Cl6
10
225
369.72
mp-1113040
-1.377907
3.109969
-2.859833
other
Cs2K1Mo1I6
10
225
479.29
mp-753668
9.12028
9.133818
2.276345
other
Ba2Gd1Sb1O6
10
225
154.02
mp-1095167
10.288642
9.003377
2.391551
other
Ba2Sr1U1O6
10
225
181.8
mp-1112116
-0.442459
1.327855
-4.755956
other
Cs2Rb1Tl1Br6
10
225
444.18
mp-1205525
5.699294
9.669214
-0.657106
other
Sr2Fe1Bi1O6
10
225
138.68
mp-989512
1.475358
2.407484
-5.485456
other
Li1Tl2In1Cl6
10
225
268.53
mp-1110817
-1.305957
2.912075
-2.942911
other
Rb2Ag1Sb1I6
10
225
441.43
mp-1111315
8.698981
1.590066
1.277044
other
Na2Ti1Ag1F6
10
225
165.13
mp-1110891
-0.396957
1.172395
-4.426682
other
K2Na1Sb1Br6
10
225
370.78
mp-1113668
8.59148
1.380267
0.950822
other
Rb2Na1Ru1F6
10
225
163.08
mp-1110834
8.335539
0.86372
1.738591
other
K2Li1Y1F6
10
225
156.66
mp-1111673
1.140404
2.126286
-5.686731
other
K2Li1Gd1Cl6
10
225
285.13
mp-1111091
8.785968
1.792229
1.371464
other
Na2Nb1Ag1F6
10
225
179.92
mp-1112927
1.302946
2.530942
-6.022291
other
Cs2Dy1Au1Cl6
10
225
321
mp-1110963
-1.215374
2.423771
-2.298638
other
K2Na1Nd1I6
10
225
482.44
mp-1111094
9.100806
0.914349
0.935313
other
Na2Cr1Ag1F6
10
225
155.85
mp-1111150
9.321977
0.409124
0.223326
other
K2Li1Co1F6
10
225
130.48
mp-1113675
8.45435
1.173126
0.773257
other
Rb2Na1Ir1F6
10
225
164.37
mp-1520195
8.13954
11.612018
1.390197
other
Sr2Gd1V1O6
10
225
141.14
mp-1205856
9.920239
9.762029
3.647957
other
Eu2Lu1Ta1O6
10
225
142.79
mp-1111199
-1.221489
2.85955
-2.860284
other
K2Al1Tl1I6
10
225
453.84
mp-1111802
-1.251697
2.998576
-2.922061
other
Rb2Ga1Ag1I6
10
225
403.22
mp-1206736
8.036223
0.736547
1.778942
other
Cs2K1La1F6
10
225
240.2
mp-1111213
-0.477417
1.181421
-4.521489
other
K2Rb1Ga1Br6
10
225
386.87
mp-1215661
7.554005
8.864185
-0.713781
other
Yb1Nb1Pb2O6
10
225
151.56
mp-1205631
7.444198
10.687067
0.686497
other
Sr8Co4Sb4O24
40
225
511.17
mp-6270
8.562266
10.901317
0.949827
other
Ba2Li1Re1O6
10
225
139.62
mp-1113451
-0.446826
1.033839
-4.622014
other
Cs2Sc1Ag1Br6
10
225
347.86
mp-1111832
-1.188058
2.976696
-3.022892
other
Cs1Rb2As1I6
10
225
542.41
mp-1523090
9.982493
9.715504
3.143441
other
Sr2Zr1Ge1O6
10
225
129.24
mp-1112264
8.52192
1.002055
1.120764
other
K2Ga1Au1F6
10
225
169.03
mp-1113386
-0.391454
0.997894
-4.412467
other
Rb2Sc1Hg1Br6
10
225
370.68
mp-1113300
-0.520071
1.247984
-4.742723
other
Cs2In1Hg1Br6
10
225
374.26
mp-1112503
8.325464
1.153288
1.016103
other
Cs2Tl1As1F6
10
225
219.86
mp-1113321
1.293042
2.54335
-5.739913
other
Rb2In1Hg1Cl6
10
225
316.33
mp-1112242
8.456978
1.11832
1.640155
other
K2Y1Cu1F6
10
225
173.18
mp-1112616
1.429896
2.659771
-5.858127
other
Cs2Al1Hg1Cl6
10
225
302.65
mp-1110833
8.149821
0.947888
1.345417
other
K2Na1Bi1F6
10
225
187.27
mp-1517008
11.863077
9.983403
2.677509
other
Ca2Zr1Nb1O6
10
225
138.42
mp-1114040
1.398653
2.544748
-5.816937
other
K1Rb2Ga1Cl6
10
225
312.23
mp-1205602
10.210227
8.704039
3.088634
other
Ba2Sm1Pa1O6
10
225
181.61
mp-1113421
-1.236799
2.984904
-3.07114
other
Cs2Bi1Au1I6
10
225
453.51
mp-6110
9.24848
9.20045
2.472294
other
Sr2Y1Sb1O6
10
225
148.14
mp-1111781
-0.503005
1.200361
-4.627314
other
Cs1Rb2Ga1Br6
10
225
419.43
mp-1111777
1.434674
2.60088
-5.897453
other
Cs1Rb2Sb1Cl6
10
225
413.92
mp-550579
10.684982
10.506347
2.65947
other
Sc1Ta1Pb2O6
10
225
138.37
mp-1208835
9.590965
9.323949
1.580572
other
Sr2Al1Sb1O6
10
225
121.27
mp-1228393
6.018512
8.629232
-0.525645
other
Ba2In1Bi1O6
10
225
159.12
mp-1096926
1.445217
2.713352
-5.9404
other
Cs2In1Ag1Cl6
10
225
304.58
mp-1110974
8.803996
1.735888
1.344414
other
Cs2Li1Mo1F6
10
225
170.25
mp-989533
8.497441
1.07247
1.233109
other
Na1Tl2In1F6
10
225
172.34
mp-1111927
9.117671
0.866311
1.141842
other
K2Li1Cr1F6
10
225
133.67
mp-1110753
-0.686332
0.979979
-4.022028
other
K2Rb1Ta1Br6
10
225
399.44
mp-1112193
1.126717
2.132611
-5.651867
other
K2Y1Hg1Cl6
10
225
342.78
mp-1113755
8.321954
0.609324
0.642923
other
K1Rb2Pd1F6
10
225
192.3
mp-1110793
1.364173
2.632363
-5.804022
other
Rb2In1Au1Cl6
10
225
295.01
mp-1111441
8.185264
0.747313
1.099239
other
K2Rb1In1F6
10
225
212.12
mp-22733
7.221001
5.497942
-2.800842
other
Ba2Ni1N6O12
21
225
277.55
mp-996942
-5.016137
-6.824021
2.933659
other
Ba6In2N1F1
10
225
358.06
mp-1519753
9.945817
9.621014
4.122162
other
Sr2Hf1Zr1O6
10
225
145