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-23137
5.921212
8.390524
-0.099811
other
Ba2Y1Bi1O6
10
225
165.79
mp-866664
-0.251496
0.703587
-3.778311
other
K8Zr6B1Br20
35
225
1,127.61
mp-1110652
8.194699
0.849348
1.731734
other
Rb2Li1Pr1F6
10
225
176.46
mp-1114178
-1.184231
2.997844
-2.868066
other
K1Rb2In1I6
10
225
501.1
mp-14292
9.113037
9.106156
2.321223
other
Ba2Nd1Sb1O6
10
225
163.46
mp-1111655
1.536486
2.651175
-5.593084
other
Rb2Ag1As1Cl6
10
225
286.45
mp-1112501
-1.239343
2.953378
-2.981677
other
Cs2Tl1Bi1I6
10
225
530.68
mp-1110686
1.403745
2.573611
-5.762718
other
Rb2Cu1Sb1Cl6
10
225
282.36
mp-1113710
8.549093
1.231986
0.81328
other
Rb2Li1Ir1F6
10
225
149.26
mp-1111871
8.763906
1.600601
1.532509
other
K2Na1Ti1F6
10
225
154.15
mp-1206266
1.463828
2.431924
-5.701344
other
K2Na1Cr1Cl6
10
225
263.31
mp-1110921
-0.492434
1.172657
-4.457636
other
K2Ag1Bi1Br6
10
225
367.79
mp-863692
4.467285
2.295819
-3.130894
other
Cs2Mn2C6N6
16
225
258.24
mp-1111381
8.882562
0.310726
0.857057
other
K2Rb1Mn1F6
10
225
191.6
mp-1112367
8.085855
1.042999
1.266399
other
K2Hg1Bi1F6
10
225
222.75
mp-1112244
8.956568
1.752507
1.573146
other
K2Ti1Cu1F6
10
225
151.27
mp-1111992
-0.528934
1.307749
-4.485045
other
K2Hg1Au1Br6
10
225
324.66
mp-1519036
9.207914
9.157699
2.465317
other
Sr2Dy1Sb1O6
10
225
147.79
mp-1112989
1.301108
2.483546
-6.016172
other
Cs2Na1Eu1Cl6
10
225
335.66
mp-1112663
-1.288666
2.671328
-2.460521
other
Cs2Li1Y1I6
10
225
429.88
mp-1112122
1.453918
2.674111
-5.987249
other
Cs2Rb1Sb1Cl6
10
225
390.07
mp-1111657
1.152032
2.084534
-5.690432
other
K2Li1Tm1Cl6
10
225
274.84
mp-18977
9.683297
11.122772
1.284465
other
Ba2Ca1W1O6
10
225
154.82
mp-1113795
8.747488
1.447492
1.011583
other
Rb2Cu1Ru1F6
10
225
154.23
mp-1518012
5.649814
10.239848
-0.419921
other
Sr2Dy1Fe1O6
10
225
134.43
mp-1112834
-1.322455
2.661971
-2.426467
other
Cs2Li1Nd1I6
10
225
460.2
mp-1111180
9.037244
0.925372
0.791445
other
Na2Fe1Hg1F6
10
225
172.37
mp-1113309
8.567788
1.395572
0.942457
other
Rb2Cu1As1F6
10
225
164.26
mp-1111423
8.188818
0.854451
1.225166
other
K2Tl1In1F6
10
225
211.76
mp-1114191
-1.243424
2.911968
-2.966821
other
Rb2In1Sb1I6
10
225
489.1
mp-1111641
-0.397145
1.148192
-4.479014
other
K2Na1Ga1Br6
10
225
309.33
mp-1212173
12.329481
9.376418
0.578887
other
In6Ge2Ir1O8
17
225
269.26
mp-1110666
8.724162
1.777602
1.29044
other
K2Rb1Mo1F6
10
225
207.96
mp-989527
8.333519
1.378205
-0.440454
other
Cs2Na1N1F6
10
225
164.76
mp-1517166
6.522917
10.392626
0.721759
other
Sr2Dy1Cr1O6
10
225
136.74
mp-607917
-3.148357
-0.299238
3.297567
other
La21Fe8Sn7C12
48
225
1,116.2
mp-1110696
1.206655
2.226786
-5.792252
other
Rb2Na1Y1Cl6
10
225
315.1
mp-1114164
-1.206044
2.688329
-2.572721
other
Rb2Y1Tl1I6
10
225
524.53
mp-1112409
8.069814
1.023721
1.243141
other
Rb2Hg1Bi1F6
10
225
227.34
mp-13936
10.70157
10.376661
1.373611
other
Sr2Gd1Re1O6
10
225
148.59
mp-1110826
-1.193774
2.456787
-2.336549
other
K2Na1Y1I6
10
225
463.98
mp-1519191
11.046853
10.439112
1.291085
other
Ba2Pr1W1O6
10
225
165.81
mp-1205958
10.923582
10.752075
1.035482
other
Sr2Cr1Re1O6
10
225
124.68
mp-1112531
-0.524724
1.217005
-4.783252
other
Cs2Rb1Al1Br6
10
225
393.88
mp-1110874
1.368146
2.533383
-5.714616
other
K2In1Ag1Cl6
10
225
289.15
mp-1112033
1.30832
2.483671
-5.681406
other
K2Hg1Bi1Cl6
10
225
345.77
mp-1111120
1.620397
2.592028
-5.071618
other
Li2Cu1Sb1Cl6
10
225
266.5
mp-1110944
-1.238768
2.546036
-2.414905
other
K2Pr1Cu1I6
10
225
430
mp-1520291
6.752255
11.439957
1.166287
other
Ca2Ce1Ni1O6
10
225
129.89
mp-1517339
5.957516
9.849873
-0.773448
other
Eu2Ni1Bi1O6
10
225
135.4
mp-1111221
-1.246927
2.351912
-2.456774
other
K2Na1Ta1I6
10
225
422.65
mp-1522216
10.00426
9.747246
4.011379
other
K1Pr1Hf2O6
10
225
140.48
mp-1517181
9.383586
9.196956
2.382301
other
Pr1Eu2Sb1O6
10
225
158.9
mp-1110583
8.481075
1.323282
0.801715
other
Rb2Ru1Au1F6
10
225
180.25
mp-606650
4.063962
2.277189
-3.176342
other
Cd1Pd1C6N6
14
225
337.71
mp-1205556
10.459614
10.235789
1.434926
other
Ba2Nd1Re1O6
10
225
160.41
mp-1110835
8.513345
1.44851
1.081564
other
K2Li1Sb1F6
10
225
158.95
mp-1519613
7.597188
11.081715
1.135601
other
Ba2Eu1V1O6
10
225
149.92
mp-1112877
-1.306129
2.742098
-2.526118
other
Cs2Y1Cu1I6
10
225
421.71
mp-1113099
8.169425
0.919327
1.464237
other
Cs2In1Ga1F6
10
225
205.28
mp-1113229
8.070046
0.7716
1.496337
other
Cs2Nd1Ag1F6
10
225
219.28
mp-1113303
-1.239291
2.837319
-3.053652
other
Cs2Hg1Bi1I6
10
225
488.58
mp-1112063
1.169372
2.242996
-5.764091
other
K2Sm1Au1Cl6
10
225
319.06
mp-1111075
8.539838
1.685741
1.177076
other
Na2In1As1F6
10
225
191.83
mp-1228422
10.934749
9.454089
2.790001
other
Ba2Ce1Nb1O6
10
225
162.76
mp-1111779
-0.50253
1.2244
-4.678296
other
Cs1Rb2In1Br6
10
225
452.15
mp-989629
8.380438
0.618786
1.211747
other
Cs1Rb2Ga1F6
10
225
211.14
mp-1210624
9.501494
1.879863
-3.570316
other
Mo1H8N3F6
18
225
223.1
mp-1518500
11.479978
9.980661
2.442576
other
Eu2Nb1Sn1O6
10
225
138.45
mp-1110975
8.286553
1.025969
1.892474
other
Cs2Li1Ce1F6
10
225
188.76
mp-1110864
1.137578
2.083104
-5.642472
other
K2Li1Tb1Cl6
10
225
281.95
mp-1112500
-0.513808
1.387619
-4.705857
other
Cs2Tl1Au1Br6
10
225
364.95
mp-1205598
10.325699
9.393284
2.220634
other
Ba2Pu1Mn1O6
10
225
153.24
mp-1113068
-1.343506
2.808951
-2.564974
other
Cs2Sc1In1I6
10
225
488.55
mp-1112494
8.358806
1.514938
0.977416
other
K2Nb1Au1F6
10
225
261.2
mp-1112512
-1.266227
3.064646
-3.011962
other
Cs2Rb1Sb1I6
10
225
555.5
mp-1111822
-0.686583
1.287543
-4.585636
other
Cs2Na1Mo1Br6
10
225
350.19
mp-1112216
-0.40826
1.224412
-4.542984
original
K2Tl1Cu1Br6
10
225
325.61
mp-7888
10.806722
10.364285
1.460368
other
Sr2Ho1Re1O6
10
225
144.47
mp-1206075
9.990038
8.82389
3.127641
other
Ba2Pa1In1O6
10
225
166.13
mp-1112103
1.315738
2.515989
-6.010645
other
Cs2Y1Tl1Cl6
10
225
380.18
mp-579605
1.27725
2.516924
-6.030225
other
Cs2K1Eu1Cl6
10
225
377.62
mp-992141
1.418696
2.796678
-5.281456
other
Cs2I1Br1Cl6
10
225
367.65
mp-18845
10.894603
11.124123
0.552635
other
Ba4Fe2W2O12
20
225
285.08
mp-1520076
5.882164
10.65718
-0.165458
other
Ca2Tb1Ni1O6
10
225
128.59
mp-1112631
-0.453122
1.063925
-4.618523
other
Cs2Sc1Au1Br6
10
225
346.16
mp-1113536
1.483616
2.674557
-5.847683
other
Cs2Tl1Au1Cl6
10
225
314.97
mp-1110660
8.264934
0.99301
1.654183
other
Rb2Nd1Cu1F6
10
225
189.15
mp-1111046
8.215158
1.333416
1.123905
other
Rb2Ta1Au1F6
10
225
271.45
mp-11734
9.604338
10.957989
1.27796
other
Sr2Mg1Re1O6
10
225
127.03
mp-1110681
1.174955
2.209075
-5.766189
other
Rb2Li1Pr1Cl6
10
225
305.51
mp-1111301
8.553761
1.111895
0.478887
other
Na2Pd1Au1F6
10
225
166.67
mp-1113906
8.296925
1.374966
1.093224
other
Rb2In1As1F6
10
225
205.47
mp-1111006
8.604829
1.445331
0.897019
other
K1Na2Ru1F6
10
225
177.29
mp-1113583
8.464887
0.619333
1.14876
other
Cs2Ga1Ag1F6
10
225
180.05
mp-1110613
8.395262
1.239655
0.772918
other
Rb2Ag1As1F6
10
225
184.86
mp-1517980
10.475181
9.767724
2.770369
other
Eu2Nb1Bi1O6
10
225
159.22
mp-1113026
1.510689
2.660033
-5.868285
other
Cs2Li1Au1Cl6
10
225
280.56
mp-1113901
9.147552
1.69732
1.566705
other
Na2Li1Ti1F6
10
225
125.19
mp-557664
8.034182
0.884854
1.343138
other
Cs2Tl1Bi1F6
10
225
233.18