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-1110678
1.409565
2.720536
-5.437609
other
Rb2Na1Mo1Cl6
10
225
286.05
mp-1110904
8.787729
0.993361
0.993115
other
Na2Li1In1F6
10
225
136.93
mp-1110770
-1.243121
2.581179
-2.395593
other
Rb2Na1Nd1I6
10
225
487.22
mp-1111088
8.801854
1.188238
1.285716
other
Na2Al1Au1F6
10
225
153.53
mp-1114168
-1.20281
2.938746
-2.997493
other
Rb2Tl1As1I6
10
225
469.85
mp-1518426
5.893135
8.387587
-0.047096
other
Sr2Nd1Bi1O6
10
225
168.63
mp-1112899
-1.345044
2.682899
-2.623599
other
Cs2Sc1Hg1I6
10
225
464.18
mp-9413
11.12326
8.884901
1.56197
other
Ca2Ti1Si1O6
10
225
104.95
mp-1112421
1.174189
2.240939
-5.771422
other
K2Pr1Au1Cl6
10
225
329.08
mp-1215690
7.404874
8.810844
-0.805667
other
Yb1Ta1Pb2O6
10
225
150.63
mp-1110949
-1.27281
2.827285
-2.904302
other
K2Ag1Sb1I6
10
225
436.04
mp-1111111
8.69503
0.672598
0.547914
other
K2Li1Au1F6
10
225
149.86
mp-1522590
6.641749
10.225341
0.669671
other
Ba2Eu1Cr1O6
10
225
147.59
mp-1114026
-0.504057
1.231689
-4.540751
other
Rb2Na1Au1Br6
10
225
343.23
mp-1521033
7.501095
8.348556
0.851557
other
Sr2Tb1Zr1O6
10
225
160.5
mp-1111090
8.925758
1.574043
1.653407
other
Na2Al1In1F6
10
225
165.85
mp-1110592
8.93472
0.523887
0.80492
other
Rb2Fe1Au1F6
10
225
175.67
mp-1522387
10.165735
9.713083
4.023321
other
K1Nd1Zr2O6
10
225
145.84
mp-1112187
1.440268
2.576215
-5.561611
other
K2In1As1Cl6
10
225
319.98
mp-1112589
8.221876
0.548269
0.696963
other
Cs2Hg1Pd1F6
10
225
190.11
mp-1111791
-1.232408
3.060028
-2.992421
other
Rb2In1Au1I6
10
225
422.96
mp-1112873
1.198381
2.113233
-5.118415
other
K2Na1Ta1Cl6
10
225
281.11
mp-1113327
1.247917
2.459599
-5.984408
other
Cs1Rb2Y1Cl6
10
225
412.11
mp-1112466
-1.219235
2.896547
-2.874963
other
K2Ga1Ag1I6
10
225
397.6
mp-1110771
-1.245899
2.514547
-2.366234
other
Rb2Na1Ce1I6
10
225
490.78
mp-1205836
10.126245
10.580562
1.798363
other
Ba2Lu1Mo1O6
10
225
148.88
mp-1111446
1.257658
2.35838
-5.97468
other
Cs2Li1Er1Cl6
10
225
296.76
mp-1111617
-0.491716
1.186041
-4.530799
other
K2Rb1Al1Br6
10
225
379.76
mp-1110962
-1.195562
2.404842
-2.292696
other
K2Na1Pr1I6
10
225
486.63
mp-1112448
1.228885
2.258155
-5.702705
original
K2Sc1Ag1Cl6
10
225
283.89
mp-1113807
8.418939
0.840378
1.21936
other
Rb2In1Cu1F6
10
225
167.9
mp-1112180
1.136214
2.171424
-5.637668
other
K2Sc1In1Cl6
10
225
334.9
mp-1110906
-0.446567
1.192211
-4.447404
other
K2Cu1Sb1Br6
10
225
326.77
mp-1518069
5.930971
8.564628
-0.117655
other
Sr2Eu1Bi1O6
10
225
163.89
mp-1111319
8.653566
1.440646
0.906585
other
Na2Ag1Ru1F6
10
225
165.06
mp-12642
9.571654
9.713073
3.588477
other
Ba2Tm1Nb1O6
10
225
153.4
mp-1112938
-1.375328
2.782967
-2.585489
other
Cs2Sc1Ag1I6
10
225
426.71
mp-1110664
8.238749
0.974153
1.867798
other
Rb2Na1Ce1F6
10
225
196.1
mp-1111285
-1.161113
2.944935
-2.891551
other
K2Rb1Ga1I6
10
225
491.5
mp-1112594
8.420536
0.876395
0.44669
other
Cs2Rh1Au1F6
10
225
184.97
mp-1111959
9.010402
0.702039
0.812446
other
K2Fe1Au1F6
10
225
170.72
mp-1111454
8.141377
1.017858
1.051432
other
Cs1Rb2Sb1F6
10
225
252.37
mp-1110566
-0.622887
1.327323
-4.56919
other
Cs2Na1As1Br6
10
225
360.65
mp-1111784
-0.591037
1.353024
-4.500054
other
Cs1Rb2As1Br6
10
225
440.94
mp-1110714
1.199474
2.31257
-5.858242
other
K2Rb1Y1Cl6
10
225
377.8
mp-1112308
8.638618
1.596023
1.264389
other
Cs1K2Mo1F6
10
225
227.21
mp-1111208
8.377171
1.552128
0.873503
other
Na2Hg1As1F6
10
225
191.6
mp-7251
9.528582
9.702131
3.555074
other
Ba2Y1Nb1O6
10
225
157.07
mp-1110588
8.946962
0.493667
0.855924
other
Rb2Mn1Au1F6
10
225
172.81
mp-1112119
-0.408979
1.057958
-4.670205
other
Cs2Rb1Sc1Br6
10
225
420.94
mp-1113575
-0.583474
1.412938
-4.674052
other
Cs2Ag1Au1Br6
10
225
330.86
mp-1112669
1.229487
2.336899
-5.940259
other
Cs2Li1Tb1Cl6
10
225
301.67
mp-989569
8.207237
0.76304
0.95848
other
Rb2Na1Pb1F6
10
225
190.09
mp-1114025
-0.59825
1.27372
-4.441885
other
Rb2Na1As1Br6
10
225
349.44
mp-1110984
8.58882
1.598982
1.618429
other
Cs2K1Ta1F6
10
225
208.69
mp-1111600
1.404225
2.534825
-5.779147
other
K2Rb1Ga1Cl6
10
225
326.54
mp-1521056
9.300731
9.073945
2.420254
other
Sr2Sm1Sb1O6
10
225
153.67
mp-1113523
1.238164
2.398763
-5.961571
other
Cs2La1Cu1Cl6
10
225
311.47
mp-1521637
6.084544
10.550126
0.516064
other
Ca2Zr1Fe1O6
10
225
127.12
mp-1518570
5.973471
8.342001
-0.070158
other
Ba2Nd1Bi1O6
10
225
174.57
mp-1112470
-0.506332
1.149501
-4.454944
other
K2Ga1Ag1Br6
10
225
316.8
mp-1113336
1.289133
2.337976
-5.23719
other
Cs2Ta1Cu1Cl6
10
225
269.79
mp-1111828
8.2677
1.369218
1.092044
other
Rb2Ta1Ag1F6
10
225
274.6
mp-1114024
1.21946
2.186305
-5.752969
other
Rb2Na1Er1Cl6
10
225
310.94
mp-13797
8.946233
0.385606
0.542357
other
K2Na1Cu1F6
10
225
146.64
mp-1111378
8.308422
0.753116
0.78722
other
K2Tl1Au1F6
10
225
194.49
mp-1113979
1.17371
2.237049
-5.761273
other
Rb2Li1Gd1Cl6
10
225
291.68
mp-1112591
8.360035
0.931332
1.728475
other
Cs2Sc1Cu1F6
10
225
174.31
mp-1112885
-1.389918
3.071744
-2.888483
other
Cs2Cu1Mo1I6
10
225
384.7
mp-1207268
10.499058
8.97556
2.239386
original
Ba2Pu1Pb1O6
10
225
178.81
mp-1112016
-1.255001
2.557597
-2.490398
other
K2Sc1In1I6
10
225
477.19
mp-1111609
-0.580918
1.283299
-4.403458
other
K2Rb1As1Br6
10
225
408.41
mp-22279
9.094764
9.787409
3.099595
other
Ba2Eu1Nb1O6
10
225
161.1
mp-1112569
8.620237
0.510802
1.528767
other
Cs2Na1Al1F6
10
225
167.49
mp-1518275
6.928018
9.067511
-0.29026
other
K1Eu1Sn2O6
10
225
137.82
mp-1112200
1.263447
2.441306
-5.672786
other
K2In1Hg1Cl6
10
225
313.01
mp-6135
7.371716
10.339174
1.25107
other
Ba2Pr1Ir1O6
10
225
157.64
mp-510546
9.028138
11.376364
0.476916
other
Sr4Co2Mo2O12
20
225
257.19
mp-1112218
1.100978
2.057655
-5.602998
other
K2Sm1Cu1Cl6
10
225
286.29
mp-1112205
-0.484969
1.171969
-4.471834
other
K2Hg1Bi1Br6
10
225
395.44
mp-1113059
1.395577
2.644082
-5.992942
other
Cs2K1Al1Cl6
10
225
315.54
mp-1111525
1.269026
2.228725
-5.482794
other
Na2Sc1Ag1Cl6
10
225
276.37
mp-1112792
-0.592206
1.336583
-4.622815
other
Cs2K1As1Br6
10
225
398.95
mp-1516433
9.637627
9.585307
3.417216
other
Ba2La1Nb1O6
10
225
169.38
mp-1078601
11.1762
10.205302
1.175932
other
La2Re1Ni1O6
10
225
126.44
mp-1205674
8.660766
10.449059
1.786842
original
Ba2Sc1Os1O6
10
225
137.77
mp-1111116
8.610583
1.698642
1.450835
other
K2Rb1Nb1F6
10
225
212.31
mp-18981
9.932292
11.244885
1.01304
other
Sr2Ca1W1O6
10
225
146.87
mp-1112140
-1.306103
3.000325
-2.936604
other
Cs2Na1Sb1I6
10
225
477.13
mp-989556
8.169086
0.731533
0.858041
other
Cs2Na1Pb1F6
10
225
201.89
mp-1111551
8.431954
1.517133
0.901532
other
Na2Ta1Ag1F6
10
225
241.51
mp-1113808
9.196627
0.590073
0.908082
other
Rb2Mn1Cu1F6
10
225
149.09
mp-1214679
7.743016
9.101276
1.271139
other
Ba2Ca1Nb1O6
10
225
160.09
mp-1112408
8.23207
1.359266
0.864933
other
Rb2Hg1As1F6
10
225
209.14
mp-1111346
8.75906
1.393786
0.750542
other
Na1Li2Ir1F6
10
225
144.99
mp-1522276
9.019423
9.287519
1.976229
other
Sr2Eu1Sb1O6
10
225
152.66
mp-1218686
7.249296
11.645604
2.009409
other
Sr4Ti2Mn2O12
20
225
236.05
mp-1114240
9.690794
0.510298
0.758054
other
Na2Li1Mn1F6
10
225
121.58
mp-1205895
10.277864
8.797482
3.135352
other
Ba2Y1Pa1O6
10
225
170.79
mp-1113045
-1.245843
3.135294
-2.922018
other
Cs2K1In1I6
10
225
509.33