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-2232639
7.250459
10.348825
-0.662314
other
Na1Mg1Cu6O8
16
225
194.27
mp-1111721
-0.62555
1.3411
-4.454522
other
Rb2As1Au1Br6
10
225
330.95
mp-1113939
8.398424
1.536764
1.225834
other
Rb2Nb1Hg1F6
10
225
245.15
mp-989542
-4.932707
-6.955805
2.910525
other
Ba6Tl2N1Cl1
10
225
403.33
mp-1516757
10.068424
9.739826
3.957896
other
Na1Nd1Hf2O6
10
225
137.7
mp-1111968
8.360243
1.103233
1.008661
other
Cs2Rb1As1F6
10
225
220.49
mp-1112623
-0.487655
1.197276
-4.748408
other
Cs2K1Ga1Br6
10
225
381.89
mp-1110740
-0.346367
1.048819
-4.317982
other
Rb2Na1Nd1Br6
10
225
388.33
mp-1112534
-0.391066
1.019201
-4.587345
other
Cs2Na1Sc1Br6
10
225
358.34
mp-1111941
8.821451
0.616927
0.46178
other
K2Ni1Au1F6
10
225
155.17
mp-1112253
9.030513
1.758675
1.275892
other
K2V1Au1F6
10
225
171.58
mp-1111940
8.840469
1.192945
1.338485
other
K2Ga1Cu1F6
10
225
145.03
mp-1516596
8.647805
11.020584
2.096042
other
Eu2Nb1Fe1O6
10
225
129.53
mp-1111731
-0.496846
1.175698
-4.543409
other
Rb2Ga1Ag1Br6
10
225
322.72
mp-1110819
-1.318884
2.984661
-2.836755
other
Rb2Ag1Mo1I6
10
225
403.74
mp-1112339
8.401297
1.126565
0.853606
other
Cs2Tl1Ru1F6
10
225
211.14
mp-1521423
7.969736
11.64283
1.394622
other
Sr2Tb1V1O6
10
225
139.71
mp-1112406
8.730339
0.408856
0.74335
other
Rb2Co1Hg1F6
10
225
169.41
mp-1111776
-0.425248
1.052611
-4.57257
other
Cs1Rb2Sc1Br6
10
225
442.62
mp-1110939
-1.208414
2.398849
-2.31309
other
K2Li1Nd1I6
10
225
444.49
mp-570379
1.245116
2.35136
-5.967836
other
Cs2Li1Lu1Cl6
10
225
292.88
mp-1112906
1.423356
2.72225
-5.949875
other
Cs2Hg1Bi1Cl6
10
225
356.26
mp-989571
1.407115
2.650499
-5.955767
other
Cs2Na1In1Cl6
10
225
311.01
mp-13938
10.857272
10.364381
1.457865
other
Sr2Dy1Re1O6
10
225
145.55
mp-1113610
1.273645
2.476507
-6.00605
other
Cs2Dy1Ag1Cl6
10
225
320.92
mp-1228310
9.430964
9.667199
3.542998
other
Ba2Tb1Nb1O6
10
225
158
mp-1111350
8.855603
1.632253
0.989777
other
Na1Li2As1F6
10
225
150.84
mp-1112595
8.207354
0.782414
1.633086
other
Cs2Sc1Au1F6
10
225
194.53
mp-1517993
9.829719
9.760292
3.398
other
Eu2Hf1Sn1O6
10
225
139.7
mp-14039
8.574765
0.944012
0.506593
other
K2Na1Rh1F6
10
225
154.6
mp-1111409
8.921979
1.674089
1.064688
other
Na2V1Hg1F6
10
225
205.3
mp-1228086
11.733382
10.237385
1.464286
other
Ba2Zr1W1O6
10
225
148.74
mp-1110601
8.518682
1.225248
0.844299
other
Rb2Ag1Ru1F6
10
225
176.32
mp-1112287
8.893369
0.824402
1.009145
other
K2Cr1Ag1F6
10
225
162.96
mp-1516440
11.124487
11.108566
0.541301
other
Eu2Mn1W1O6
10
225
135.35
mp-1112141
-1.33916
2.718946
-2.473516
other
Cs2Na1Sc1I6
10
225
434.82
mp-1111407
8.347035
1.321083
1.017683
other
K1Na2Sb1F6
10
225
205.7
mp-1111162
8.824234
0.829044
0.490153
other
Na2Ni1Hg1F6
10
225
155.82
mp-989590
-5.418025
-6.70235
3.097845
other
Ca6Sn2N1F1
10
225
238.46
mp-1112853
-0.468579
1.204463
-4.725424
other
Cs2K1Sb1Br6
10
225
429.37
mp-1112879
-1.341775
2.581925
-2.515004
other
Cs2Ta1Cu1I6
10
225
387.76
mp-1206701
10.337969
9.237334
2.534968
other
Sr2Yb1U1O6
10
225
159.71
mp-1110746
-1.277546
2.827492
-2.88306
other
Rb2Li1Sb1I6
10
225
434.65
mp-1205557
11.690249
9.308156
2.364879
other
Ba2U1Ti1O6
10
225
151.36
mp-1112959
8.680445
0.318065
0.550396
other
Cs2Cu1Au1F6
10
225
169.63
mp-1111672
1.379921
2.437813
-5.717907
other
K2Li1In1Cl6
10
225
267.69
mp-1113098
8.352413
0.731457
1.219706
other
Cs2Ga1Hg1F6
10
225
194.29
mp-1111615
1.134915
2.050468
-5.689981
other
K2Na1Tm1Cl6
10
225
302.38
mp-1110631
-0.427078
1.172675
-4.542101
other
Rb2Na1Ga1Br6
10
225
333.5
mp-1110942
-1.229398
2.573286
-2.445279
other
K2Y1Cu1I6
10
225
409.54
mp-1110787
8.115467
1.210227
0.971036
other
Rb2Ag1Sb1F6
10
225
201.72
mp-1518133
8.610605
10.995038
-0.966932
other
Na2Tb1W1O6
10
225
141.51
mp-23108
1.376881
2.375258
-5.654671
other
Cs2Na1U1Cl6
10
225
340.2
mp-1113384
-0.524991
1.201255
-4.531608
other
Rb2Ga1Hg1Br6
10
225
341.19
mp-1110707
-0.639658
0.954605
-4.055074
other
Rb2Li1Ta1Br6
10
225
314.89
mp-1522401
11.240438
10.509007
1.063181
other
Sr2Gd1W1O6
10
225
151.61
mp-1113676
9.02284
0.31792
0.859345
other
Rb2Na1Mn1F6
10
225
159.1
mp-1113932
8.746377
1.326552
1.216591
other
Rb2V1Hg1F6
10
225
221.39
mp-989580
8.327897
1.393661
-0.430307
other
Cs2K1N1F6
10
225
180.62
mp-1113306
1.1909
2.09954
-5.561023
other
Rb2Ce1Cu1Cl6
10
225
298.23
mp-1110772
-1.216085
2.809215
-2.81303
other
Rb2Na1Bi1I6
10
225
481.67
mp-1111442
8.300138
0.640303
0.62685
other
K2Rb1Au1F6
10
225
212.83
mp-1112278
-0.487415
1.34129
-4.746722
other
Cs2Cu1Bi1Br6
10
225
348.94
mp-1114020
1.23804
2.337296
-5.848814
other
Rb2Na1Eu1Cl6
10
225
325.36
mp-13926
8.137262
0.818585
1.797169
other
Rb2Na1Y1F6
10
225
183.89
mp-13811
10.130672
9.234203
2.377014
other
Ba2Mg1U1O6
10
225
152.36
mp-1113896
8.29235
1.130237
1.878133
other
Rb2Sc1In1F6
10
225
203.09
mp-1114077
1.350892
2.513604
-5.755568
other
Rb2Tl1Hg1Cl6
10
225
324.43
mp-1120775
0.333994
1.916987
-3.938882
other
Cs2Ag1Bi1Br6
10
225
567.29
mp-6635
9.498863
10.624134
1.462774
original
Ba2Ca1Re1O6
10
225
152.08
mp-1520955
6.368967
10.193233
0.20169
other
Eu2Fe1Sn1O6
10
225
129.02
mp-6739
7.848658
10.467384
1.354302
other
Ba2Ca1Os1O6
10
225
150.89
mp-669364
-2.857152
0.335815
-4.089739
other
Cs6Re6S8I8
28
225
1,061.13
mp-1113578
-0.646258
1.379115
-4.606425
other
Cs2Ag1As1Br6
10
225
329.52
mp-1110595
8.330536
1.309129
0.811863
other
Rb2As1Au1F6
10
225
189.22
mp-1111293
8.496141
1.398717
1.064062
other
Na2Ti1Au1F6
10
225
191.38
mp-1517132
9.852736
9.692271
3.328951
other
Eu2Zr1Sn1O6
10
225
142.73
mp-1110912
-0.495187
1.190227
-4.409441
other
K2Ag1Sb1Br6
10
225
356.66
mp-1517097
5.795252
9.993121
-0.620164
other
Ca2Fe1Bi1O6
10
225
134.11
mp-550274
9.887213
11.396724
0.47598
other
Sr2Co1W1O6
10
225
130.22
mp-1206176
8.90204
0.307928
0.490814
other
Rb2Na1Cu1F6
10
225
154.88
mp-1112640
8.259606
0.511051
0.726039
other
Cs2Hg1Au1F6
10
225
198.11
mp-1110951
-1.281563
2.866909
-2.792952
other
K2Ag1Mo1I6
10
225
398.87
mp-1114003
1.275614
2.3695
-5.857269
other
Rb2Sc1Tl1Cl6
10
225
343.87
mp-1113565
-1.323086
3.124618
-2.965972
other
Cs2In1Ag1I6
10
225
435.08
mp-1113971
1.188356
2.185415
-5.752262
other
Rb2Li1Tm1Cl6
10
225
282.03
mp-1114163
-1.261353
2.71364
-2.586393
other
Rb2Sc1Tl1I6
10
225
489.72
mp-726328
4.084593
2.3911
-3.207195
other
Fe1Cu1C6N8
16
225
265.01
mp-1110916
-0.371446
1.02457
-4.242063
other
K2Nd1Ag1Br6
10
225
376.31
mp-22594
7.302886
10.339463
1.182214
other
Ba2Lu1Ir1O6
10
225
145.61
mp-1110794
1.27482
2.392141
-5.196569
other
Rb2Ta1Ag1Cl6
10
225
285.79
mp-1095155
6.968627
10.826054
0.137995
other
Sr8Ni4Ir4O24
40
225
505.04
mp-1521082
8.383501
7.005214
-1.102268
other
Ba2Pr1Se1O6
10
225
158.64
mp-1517275
11.242241
9.188881
0.739751
other
Ca1Pr1Sb2O6
10
225
154.28
mp-1111139
1.127063
2.067993
-5.691475
other
K2Na1La1Cl6
10
225
331.8
mp-1112506
-0.467848
1.190863
-4.774689
other
Cs2Al1Tl1Br6
10
225
380.6
mp-989535
3.367092
-0.742869
-2.572738
other
Cs2Al1In1H6
10
225
172.94
mp-1112926
1.478447
2.744182
-5.882897
other
Cs2Sb1Au1Cl6
10
225
316.83
mp-1111184
-0.517737
1.199966
-4.287308
other
Na2In1Ag1Br6
10
225
334.26
mp-1111873
1.454513
2.659654
-5.998607
other
Cs2K1Sb1Cl6
10
225
369.37