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-1112117
-1.328161
2.842665
-2.566583
other
Cs2Rb1Sc1I6
10
225
521.64
mp-1207220
11.048797
8.862816
2.562346
other
Sr2Er1U1O6
10
225
162.18
mp-20056
10.573805
10.782596
0.125916
other
Mg1Pb2W1O6
10
225
132.13
mp-24227
8.490078
1.490324
-4.284367
other
H8Pt1N2Cl6
17
225
250.91
mp-1112064
-1.249884
2.883543
-2.994896
other
K2Sb1Au1I6
10
225
429.03
mp-1112126
1.241514
2.492353
-6.069654
other
Cs2Rb1La1Cl6
10
225
416.66
mp-1111439
1.462712
2.637028
-5.902046
other
Cs2Li1Sb1Cl6
10
225
303.22
mp-1207219
8.517211
10.305363
1.029752
other
Sr8Fe4Sb4O24
40
225
516.67
mp-1113281
-0.53338
1.192258
-4.718481
other
Cs2Al1In1Br6
10
225
374.1
mp-1112603
8.274712
1.314608
0.875165
other
Cs2Hg1As1F6
10
225
225.2
mp-1111289
8.939692
1.714713
1.079144
other
Na2Cu1As1F6
10
225
150.05
mp-1110759
1.344785
2.583673
-5.840785
other
K2Rb1Bi1Cl6
10
225
392.55
mp-1110789
8.104759
0.790617
1.452388
other
Rb2Nd1Ag1F6
10
225
212.31
mp-1205700
10.899302
8.724198
2.407677
other
Ba2La1U1O6
10
225
183.86
mp-1112692
-1.22478
3.103938
-2.980472
other
Cs2K1Tl1I6
10
225
525.8
mp-1111469
1.457817
2.642558
-5.733476
other
Rb2Ag1Au1Cl6
10
225
276.02
mp-1520572
9.955839
11.365588
0.106826
other
Na2Ce1W1O6
10
225
141.39
mp-1114031
1.361754
2.534994
-5.794376
other
K1Rb2Tl1Cl6
10
225
351.48
mp-1112432
-1.177967
2.929013
-3.014391
other
K2As1Au1I6
10
225
397.71
mp-1114115
-0.418009
1.207258
-4.586995
other
Rb2Tl1In1Br6
10
225
403.54
mp-1518433
10.341961
11.28423
1.878455
other
Sr2Hf1V1O6
10
225
129.81
mp-1516498
6.052398
10.477011
-0.851445
other
Ba2Na1Mn1O6
10
225
146.22
mp-1113220
1.457154
2.711677
-5.898615
other
Cs2Al1Au1Cl6
10
225
278.89
mp-1113020
1.282323
2.337308
-5.940446
other
Cs2Li1Ce1Cl6
10
225
315.42
mp-1111729
-0.487972
1.209396
-4.566193
other
Rb2In1Ag1Br6
10
225
345.36
mp-1113288
1.19815
2.127139
-5.619493
other
Rb2Er1Cu1Cl6
10
225
278.02
mp-1110609
8.510858
0.725007
1.108482
other
Rb2Ga1Ag1F6
10
225
169.72
mp-1111618
-1.240617
2.520678
-2.403086
other
K2Na1Sc1I6
10
225
435.29
mp-1232361
8.056816
10.298869
-0.54061
other
Cs1In1Cu6O8
16
225
207.05
mp-1112104
-0.501123
1.151614
-4.466257
other
K2Al1Ag1Br6
10
225
311.77
mp-989538
8.055729
0.947376
1.566473
other
Cs2In1Bi1F6
10
225
239.89
mp-20620
9.736286
9.968801
3.182307
other
Ba2Nb1In1O6
10
225
149.25
mp-1113585
1.278623
2.499724
-5.998241
other
Cs2La1Ag1Cl6
10
225
342.33
mp-1112784
-1.287779
2.728494
-2.422439
other
Cs2K1Ce1I6
10
225
552.84
mp-1111147
9.198783
0.431014
0.161586
other
K2Li1Ni1F6
10
225
129.11
mp-653429
8.836064
14.454477
-1.055204
other
Mn14Fe2Cl6O20
42
225
594.64
mp-1111015
8.949981
0.865524
1.094177
other
K1Na2Cr1F6
10
225
167.82
mp-696275
8.69374
1.305031
-4.261764
other
Sn1H8N2Cl6
17
225
260.4
mp-1520970
6.533751
10.276846
0.624279
other
Sr2Tb1Cr1O6
10
225
138.54
mp-1112132
-0.495061
1.281421
-4.741605
other
Cs2Rb1Bi1Br6
10
225
465.57
mp-1111399
8.137068
0.757921
1.488094
other
Rb2Y1Au1F6
10
225
206.15
mp-1518215
5.977684
8.677072
-0.473218
other
Sr2In1Bi1O6
10
225
151.56
mp-1112479
1.498613
2.65458
-5.655399
other
K2Ag1Au1Cl6
10
225
271.07
mp-1110653
8.212096
0.889812
1.75516
other
Rb2Li1Nd1F6
10
225
174.31
mp-1227836
5.855838
10.910807
0.109851
other
Ba1Nd1Fe2O6
10
225
124.64
mp-1112120
1.329742
2.538825
-6.104406
other
Cs2Rb1Sc1Cl6
10
225
346.51
mp-10731
9.095151
9.060562
2.237678
other
Ba2Pr1Sb1O6
10
225
165.33
mp-1110769
-1.222939
2.56686
-2.394898
other
Rb2Na1Pr1I6
10
225
491.78
mp-20958
10.42939
10.208416
1.426844
other
Ba2La1Re1O6
10
225
164.04
mp-1113921
1.307865
2.100355
-5.470428
other
Na2Li1Er1Cl6
10
225
266.82
mp-1519872
9.833588
9.738233
3.712818
other
Tb1Eu2Nb1O6
10
225
150.75
mp-1113927
8.07055
0.944969
1.326591
other
Rb2Tl1Bi1F6
10
225
239.9
mp-1111957
8.385165
1.251199
1.143754
other
K2Ti1Au1F6
10
225
203.83
mp-1110805
1.187108
2.297764
-5.786377
other
Rb2Pr1Ag1Cl6
10
225
331.28
mp-1111788
-1.270118
2.712795
-2.640154
other
Rb2Sc1Au1I6
10
225
416.73
mp-1112195
8.137229
1.34117
0.956163
other
K2Hg1Sb1F6
10
225
223.2
mp-1114194
-1.238539
2.923828
-3.010552
other
Rb2Tl1Hg1I6
10
225
464.48
mp-1113018
1.228323
2.344582
-5.961346
other
Cs2Li1Dy1Cl6
10
225
299.54
mp-1112950
8.543877
1.562084
1.428895
other
Cs2Nb1Ag1F6
10
225
197.93
mp-1114060
1.320793
2.55552
-5.74888
other
Rb2In1Ga1Cl6
10
225
316.7
mp-1111302
9.004262
1.949919
1.279551
other
Na2Mo1Au1F6
10
225
180.55
mp-1205736
9.114061
11.388137
1.122714
other
Nb1Co1Pb2O6
10
225
130.15
mp-1110591
8.472319
0.820119
1.100008
other
Rb2Ga1Au1F6
10
225
174.72
mp-1210015
4.206505
2.306516
-3.260131
other
Ni1Pt1C6N6
14
225
284.78
mp-989648
3.418094
-0.743796
-2.591362
other
Cs2Al1Ga1H6
10
225
162.86
mp-1112095
-1.235211
2.906685
-2.855982
original
K2In1Ag1I6
10
225
423.44
mp-1112428
1.280625
2.402362
-5.764813
other
K2Eu1Au1Cl6
10
225
314.28
mp-1111879
-0.457996
1.28365
-4.719726
other
Cs2Cu1Sb1Br6
10
225
339.87
mp-1112281
9.028236
0.422331
0.767063
other
K2Mn1Ag1F6
10
225
162.66
mp-1111362
9.35119
0.563574
0.44181
other
Li2Mn1Ag1F6
10
225
153.92
mp-1521428
7.691761
11.442698
0.967231
other
Sr2Eu1V1O6
10
225
142.64
mp-1112225
8.137969
0.893592
1.157781
other
Rb2In1Hg1F6
10
225
202.59
mp-1205783
8.06527
1.990303
-1.052655
other
Na1Sc1N2F6
10
225
158.95
mp-1110815
1.16722
2.391403
-5.9326
other
Cs1Rb2Tb1Cl6
10
225
414.28
mp-1112284
8.545814
0.849304
1.120291
other
K2Ga1Ag1F6
10
225
163.72
mp-1520574
9.877704
9.729892
3.959936
other
K1La1Hf2O6
10
225
141
mp-1112111
-1.299854
3.064216
-2.927548
other
Cs2Al1Tl1I6
10
225
468.66
mp-1516951
9.337697
9.197584
2.084307
other
Ca2Gd1Sb1O6
10
225
143.28
mp-1111545
1.48355
2.512179
-5.360046
other
Na2Al1Ag1Cl6
10
225
253.4
mp-1517296
5.645349
10.354417
-0.429389
other
Ca2Tb1Fe1O6
10
225
131.17
mp-1111628
1.202756
2.302803
-5.821451
other
Rb2Tm1Ag1Cl6
10
225
305.93
mp-1111651
1.504107
2.486898
-5.631676
other
K2Na1As1Cl6
10
225
287.82
mp-1111950
8.361485
0.974447
0.389862
other
K2Ag1Rh1F6
10
225
167.78
mp-1110837
9.120481
2.006622
1.483585
other
K2Li1Mo1F6
10
225
144.75
mp-20116
6.766222
5.79424
-3.538247
other
Tl3Ir1N6O12
22
225
311.76
mp-1110603
8.36286
0.725735
0.571073
other
Rb2Ag1Pd1F6
10
225
162.66
mp-1113031
-1.335462
2.635326
-2.483112
other
Cs2K1Ta1I6
10
225
482.05
mp-1518951
9.426673
9.228445
2.437057
other
Tb1Eu2Sb1O6
10
225
148.74
mp-1112134
-0.577413
1.36069
-4.626777
other
Cs2Rb1As1Br6
10
225
420.9
mp-1112319
8.52094
0.582804
1.487756
other
Cs1K2Al1F6
10
225
196.14
mp-1113553
-0.53627
1.239427
-4.700874
other
Cs2Ga1Ag1Br6
10
225
331.63
mp-1112445
-0.432365
1.214653
-4.50386
other
K2Tl1Ag1Br6
10
225
350.93
mp-1519318
10.031753
9.763764
3.95066
other
K1Gd1Hf2O6
10
225
135.16
mp-1110838
8.297883
1.022773
1.265637
other
K2Li1Bi1F6
10
225
165.83
mp-1110600
8.226963
0.861525
1.58757
other
Rb2Sc1Ag1F6
10
225
181.4
mp-1112165
8.947319
1.08979
1.524041
other
K2Al1Cu1F6
10
225
139.5
mp-1113408
1.296362
2.522612
-6.014949
other
Cs2Pr1Au1Cl6
10
225
339.79
mp-1112254
8.850463
1.335207
1.405071
other
Cs1K2V1F6
10
225
210.97
mp-1110776
-1.178363
2.534779
-2.404828
other
K2Rb1Pr1I6
10
225
574.82
mp-1110710
-0.387361
1.103944
-4.315968
other
Rb2Li1Nd1Br6
10
225
357.21