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-1111991
1.127953
2.035233
-5.561984
other
K2Tb1Cu1Cl6
10
225
278.8
mp-1111514
1.287204
2.104445
-5.444859
other
Na2Y1Cu1Cl6
10
225
269
mp-1111368
8.37742
0.918151
0.557898
other
K2Tl1Rh1F6
10
225
193.68
mp-1112138
-0.430717
1.285215
-4.729445
other
Cs2Na1Tl1Br6
10
225
379.32
mp-13800
8.256454
0.585797
0.799381
other
Cs2Na1Tl1F6
10
225
193.5
mp-1111577
1.330696
2.464882
-5.712184
other
K2Tl1In1Cl6
10
225
344.99
mp-1112948
8.22458
1.007292
0.599088
other
Cs2Hg1Ir1F6
10
225
223.65
mp-1113908
8.16727
0.799044
0.941102
other
Rb2Tl1Hg1F6
10
225
194.67
mp-1211235
11.5248
9.541022
2.490051
other
La2Mg1Nb1O6
10
225
129.88
mp-1111452
8.454145
1.519334
1.508883
other
Cs1Rb2Ta1F6
10
225
238.72
mp-1111310
8.299826
1.383893
1.054646
other
Cs2Ta1Cu1F6
10
225
275.93
mp-1111536
1.472118
2.436575
-5.435976
other
Na2Cu1Sb1Cl6
10
225
268.99
mp-1111338
9.610573
1.936928
1.4999
other
Na1Li2V1F6
10
225
137.46
mp-1111786
-1.220958
2.712517
-2.611451
other
Rb2Y1Au1I6
10
225
443.64
mp-1206644
9.647651
9.656323
3.4804
other
Ba2Sc1Nb1O6
10
225
142.35
mp-1205751
9.872662
9.302268
2.028286
other
Ba2U1Be1O6
10
225
138.92
mp-1111142
8.99409
1.007847
1.114303
other
Na1Li2Ga1F6
10
225
133.45
mp-1112106
-0.350031
1.071612
-4.655438
other
Cs2Y1Tl1Br6
10
225
436.81
mp-1520339
6.270852
10.35967
-0.02341
other
Sr2Ca1Cr1O6
10
225
135.59
mp-1110849
8.140043
0.771775
1.415688
other
K2Pr1Ag1F6
10
225
210.95
mp-1223565
-2.260275
0.196921
2.746562
other
La20Mn8Te7C12
47
225
1,097.04
mp-1518614
10.147179
10.036371
2.977959
other
Ca2Nb1In1O6
10
225
137.82
mp-1078303
8.701699
10.306533
1.614233
other
Ba2Y1Os1O6
10
225
151.77
mp-1523327
9.224642
9.113193
2.373982
original
Sr2Gd1Sb1O6
10
225
151.09
mp-6609
7.703784
10.316429
1.594993
other
Ba2Ho1Ru1O6
10
225
149.6
mp-1518429
8.425531
7.032411
-1.113462
other
Ba2Sm1Se1O6
10
225
154.22
mp-1518085
6.187746
10.760903
-1.054665
other
Na2Eu1Mn1O6
10
225
140.29
mp-1111096
9.014398
1.726179
1.472684
other
Na1Li2Ti1F6
10
225
140.91
mp-1111611
1.406799
2.569813
-5.747562
other
Rb2Tl1Au1Cl6
10
225
292.39
mp-560936
8.856406
0.640607
1.176663
other
Rb2Na1Cr1F6
10
225
158.56
mp-1110783
-1.159504
2.754486
-2.831901
other
K2Rb1Bi1I6
10
225
559.79
mp-1114234
8.89674
1.127514
0.394808
other
Na2Li1Rh1F6
10
225
126.45
mp-6687
9.041632
9.139438
2.408514
other
Ba2Ho1Sb1O6
10
225
153.77
mp-1110830
8.166502
0.795042
1.695531
other
K2Na1Pr1F6
10
225
190.31
mp-1113092
8.567681
0.535839
1.563965
other
Cs2K1Al1F6
10
225
184.89
mp-18986
9.639825
11.31054
1.194845
other
Ba2Mg1W1O6
10
225
139.68
mp-1110993
-0.392312
1.291255
-4.320406
other
Na2Tl1Cu1Br6
10
225
318.59
mp-1113029
1.41946
2.626711
-5.876249
other
Cs2K1Tl1Cl6
10
225
359.85
mp-1111915
-0.362807
1.18686
-4.513963
other
K2Na1Tl1Br6
10
225
364.57
mp-1111616
1.410593
2.46506
-5.72359
other
K2Na1Tl1Cl6
10
225
305.06
mp-1114039
-0.459851
1.187708
-4.584499
other
K1Rb2Ga1Br6
10
225
373.26
mp-18995
9.54862
11.277529
0.766153
other
Ba2Fe1Mo1O6
10
225
136.65
mp-1078250
-0.528096
1.284516
-4.725265
other
Cs2Ag1Bi1Br6
10
225
379.06
mp-1112025
-0.345134
0.978858
-4.332533
other
K2Y1Hg1Br6
10
225
396.4
mp-1110565
-0.529853
1.326147
-4.670202
other
Cs2Na1Au1Br6
10
225
354.19
mp-1207449
4.199921
2.311284
-3.2152
other
Zn1Pt1C6N6
14
225
305.08
mp-1110628
8.556129
0.967442
1.515313
other
Na2Li1Y1F6
10
225
146.26
mp-1111273
1.310848
2.311662
-5.759607
other
K2Li1Eu1Cl6
10
225
289.16
mp-1112641
8.364578
1.424023
1.19818
other
Cs2Nb1Au1F6
10
225
254.32
mp-1112067
1.426389
2.591383
-5.683249
other
K2Sb1Au1Cl6
10
225
306.34
mp-1111372
8.429265
0.886526
1.282157
other
K2Tl1Ga1F6
10
225
188.67
mp-1112007
1.540488
2.700676
-5.893627
other
Cs2Rb1As1Cl6
10
225
360.4
mp-1112670
-0.483764
1.365765
-4.736929
other
Cs2Li1Tl1Br6
10
225
352.17
mp-1110654
8.954127
1.934527
1.443371
other
Rb2Li1Mo1F6
10
225
153.61
mp-1112565
8.955459
0.240313
0.649009
other
Cs2Tl1Co1F6
10
225
193.57
mp-1520629
5.827058
8.381495
-0.11237
other
Sr2Tb1Bi1O6
10
225
160.18
mp-1112907
1.571882
2.698431
-5.713062
other
Cs2Hg1As1Cl6
10
225
319.46
mp-1205743
8.04209
7.174246
-2.60684
original
Na1Sr2I1O6
10
225
138.82
mp-1111348
9.468139
0.56831
0.63134
other
Na1Li2Fe1F6
10
225
138.26
mp-1111262
1.290245
2.134895
-5.311841
other
Li2Sc1Cu1Cl6
10
225
243.07
mp-1111314
8.436759
0.908073
0.534952
other
Na2Tl1Ag1F6
10
225
186.55
mp-1112226
8.557009
1.759626
1.135563
other
Rb2Hg1Mo1F6
10
225
240.29
mp-1113443
1.408418
2.750671
-5.976597
other
Cs2Bi1Au1Cl6
10
225
327.23
mp-1111938
8.691724
1.028946
1.12129
other
K2Cr1Hg1F6
10
225
176.88
mp-1110971
8.215363
1.171157
1.104933
other
Cs2Li1Sb1F6
10
225
182.84
mp-1110899
-0.423439
1.175127
-4.469695
other
K2Li1Sb1Br6
10
225
338.59
mp-1111135
-0.522883
1.208538
-4.29676
other
Na2Cu1Bi1Br6
10
225
329.03
mp-558078
9.051934
0.327908
0.886484
other
Rb2Na1Fe1F6
10
225
159.86
mp-1111554
9.150624
0.992333
0.64516
other
Li2Fe1Hg1F6
10
225
169.26
mp-1110950
-1.262263
2.505722
-2.429993
other
K2Nd1Ag1I6
10
225
460.61
mp-616501
7.55089
10.919779
-0.998464
other
In1Cu6Cl1O8
16
225
196.25
mp-1111796
-1.20744
2.980842
-3.064982
other
Rb2As1Au1I6
10
225
403.57
mp-1113487
9.253239
0.723603
1.147018
other
Rb2Fe1Cu1F6
10
225
150.91
mp-1110614
8.613076
0.646307
1.326918
other
Rb2Al1Ag1F6
10
225
161.93
mp-1518540
9.656871
9.708252
2.894185
other
Ca2Zr1Sn1O6
10
225
139
mp-1522336
6.627661
10.315228
1.004454
other
Ba2La1Cr1O6
10
225
155.33
mp-989543
1.809057
2.927498
-5.029537
other
Cs2Br1Cl6F1
10
225
285.5
mp-1095109
7.558098
10.367073
0.901394
other
Ba2Bi1Ir1O6
10
225
158.79
mp-1518526
9.855535
10.33172
3.80708
other
Sr2Zr1Ti1O6
10
225
134.37
mp-1519033
9.339709
9.017953
2.854807
other
Sr2Ce1Sn1O6
10
225
156.31
mp-1113282
-1.2659
3.034076
-3.035572
other
Cs2Tl1Hg1I6
10
225
472.28
mp-1110659
8.33066
1.388779
1.077524
other
Rb2Cu1Sb1F6
10
225
179.08
mp-1080842
10.630307
9.062136
2.269485
other
Ba2U1Pb1O6
10
225
184.99
mp-541097
9.090767
1.864252
1.753
other
Zr6Pb2O8F12
28
225
340.87
mp-1111652
1.350035
2.385816
-5.691052
other
K2Na1Al1Cl6
10
225
263.06
mp-1113654
8.522689
0.69909
1.516566
other
Rb2Al1Tl1F6
10
225
185.68
mp-1519938
8.078493
11.138633
1.36477
other
Ba2Pr1V1O6
10
225
155.26
mp-505791
8.482319
1.300616
-4.30795
other
Re1H8Br6N2
17
225
285.62
mp-1205670
9.413066
9.684103
3.506647
other
Ba2Pr1Ta1O6
10
225
166.61
mp-1111134
1.23093
2.257693
-5.754106
other
K2Sc1Tl1Cl6
10
225
339.36
mp-1205676
7.356654
10.229283
0.393182
other
Na1Sr2Os1O6
10
225
137.13
mp-1113057
-1.279665
3.082877
-2.896347
other
Cs2K1Al1I6
10
225
474.55
mp-1227910
5.88219
10.934252
0.11865
other
Ba1La1Fe2O6
10
225
125.85
mp-1110749
-1.316503
2.918813
-2.762022
other
Rb2Li1Mo1I6
10
225
396.16
mp-989551
8.606021
1.070675
1.188896
other
Li1Tl2In1F6
10
225
157.25
mp-1519174
12.238378
10.451841
1.436711
other
Eu2Nb1W1O6
10
225
139.64
mp-1205596
9.470106
9.68222
3.534649
other
Ba2Nd1Ta1O6
10
225
164.51
mp-1110621
8.655459
1.052169
1.403381
other
Na2Al1Tl1F6
10
225
172.11
mp-1112234
8.39275
1.003464
1.218859
other
K2Ga1Hg1F6
10
225
177.62
mp-1205599
9.855089
9.799541
3.718053
other
Nd1Eu2Ta1O6
10
225
158.17