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-1208987
-8.537226
-2.134238
3.869873
other
Sc4Mn2B4Ir10
20
127
272.07
mp-1210783
0.906295
2.239127
1.796394
other
Li4Ca2Mn4N4
14
127
186.02
mp-1104693
-1.210927
0.697562
0.586717
other
Li2Ca4H2C6
14
127
175.51
mp-1105793
-8.493649
-1.92296
3.807846
other
Mg4B4As2Ir10
20
127
269.1
mp-1106175
-8.609992
-2.014026
3.889735
other
Mg4Ge2B4Ir10
20
127
259.34
mp-1212064
10.592641
11.601453
3.276705
other
K4Dy2Nb10O30
46
127
642.84
mp-1213131
10.958502
11.731675
3.217804
other
Er2Ta10Ag4O30
46
127
621.09
mp-865031
-8.61461
-1.988083
3.91741
other
Mg4Zn2B4Ir10
20
127
265.47
mp-565929
10.246488
11.404032
3.046402
other
K4Eu2Ta10O30
46
127
638.68
mp-22425
-8.543162
-1.988398
3.909648
other
Sc4Fe2B4Ir10
20
127
267.02
mp-1212050
10.576744
11.625886
3.281632
other
K4Ho2Nb10O30
46
127
641.54
mp-1208997
-8.587076
-2.225658
3.947974
other
Sc4Ti2B4Ir10
20
127
277.79
mp-1189317
-8.512825
-1.974525
3.886032
other
Mg4Cr2B4Ir10
20
127
263.35
mp-20524
-8.503777
-2.0543
3.912529
other
Sc4V2B4Ir10
20
127
273.6
mp-1199668
10.284912
11.605558
3.178057
other
K4Eu2Nb10O30
46
127
645.1
mp-1212958
10.94475
11.727815
3.214204
other
Dy2Ta10Ag4O30
46
127
621.29
mp-1207566
10.540895
11.689243
2.645776
other
Yb2Nb10Ag4O30
46
127
633.8
mp-1105469
-8.617109
-1.998133
3.878268
other
Mg4V2B4Ir10
20
127
264.56
mp-542021
-8.856931
-1.626349
4.05533
other
Sc4Cr2B4Rh10
20
127
270.8
mp-1518749
9.438711
9.212248
2.025989
other
Ca4La2Sb2O12
20
128
298.31
mp-1203456
8.683412
1.177394
-4.202796
other
Hg2H32Br12N8
54
128
810.51
mp-1518059
5.949554
8.645164
-0.252679
other
Ca4Y2Bi2O12
20
128
295.12
mp-558689
7.37428
10.340541
1.251425
other
Ba4Pr2Ir2O12
20
128
313.26
mp-1220068
-4.195806
-3.512384
-3.004412
other
Rb4U12Pt8Se34
58
128
1,549.5
mp-1521669
9.940453
9.400861
0.800045
other
Ca4Bi2Sb2O12
20
128
290.39
mp-1196686
-2.904459
-2.187719
-4.622925
other
Cs4U12Pd8S34
58
128
1,389.47
mp-1188660
7.302314
10.341364
1.182395
original
Ba4Lu2Ir2O12
20
128
290.99
mp-1202036
-4.09532
-3.559922
-3.064041
other
Rb4U12Pd8Se34
58
128
1,546.48
mp-1518292
7.082761
8.833971
-1.176838
other
Pr2Zn2Bi4O12
20
128
296.67
mp-568357
-1.110034
1.593002
-1.75382
other
K8La12Os2I28
50
128
2,301.33
mp-1516776
11.422182
10.378618
0.523864
other
Ca4Bi2W2O12
20
128
289.17
mp-1200206
-2.906729
-2.176468
-4.61354
other
Rb4U12Pd8S34
58
128
1,352.14
mp-1208808
7.711547
9.749862
-0.438196
other
Sr4Li2Te2O12
20
128
260.31
mp-849260
8.212329
0.907521
-4.249003
other
Re2H16I12N4
34
128
761.38
mp-1519705
7.118167
8.759981
-1.09652
other
Pr2Mg2Bi4O12
20
128
293.65
mp-1208975
7.798812
9.222709
1.171337
other
Sr8Ca4Nb4O24
40
128
592.31
mp-1195486
12.448469
7.234468
-6.738062
other
Na8P16Pd12O56
92
128
1,278.42
mp-554564
-0.617175
1.224661
-4.211808
other
Ta16Bi32Br56O16
120
128
4,165.06
mp-12444
-4.324855
-2.719895
-5.444043
other
Sr2Cu2S2F2
8
129
134.19
mp-1182186
8.782462
11.311294
1.949697
other
Ba2Y2Mn4O10
18
129
246.07
mp-1078679
11.160954
7.808015
2.982733
other
Gd2Fe2As2O2
8
129
145.52
mp-974307
11.126562
7.955533
3.154555
other
Nd2Cu2Te2O2
8
129
159.92
mp-753559
8.973068
12.264358
-0.628201
other
Li4Ni4O4F4
16
129
145.64
mp-9195
-4.106353
-3.030474
-4.712026
other
Ba2Cu2Se2F2
8
129
168.08
mp-622621
11.176787
7.823433
3.012417
other
Nd2Fe2As2O2
8
129
152.26
mp-9929
-5.388326
-3.14391
4.450884
other
Zr2Cu2Si2As2
8
129
130.93
mp-635469
10.590516
7.791459
2.97725
other
Ce2Cu2S2O2
8
129
130.27
mp-1095151
-4.876133
-5.364425
0.563548
other
Ba2Cd2As2F2
8
129
194.02
mp-1078542
11.128031
7.840408
2.857973
other
Gd2Zn2As2O2
8
129
144.51
mp-1147531
11.18078
10.686636
2.098803
other
La2Ti2Ni2O8
14
129
179.72
mp-20807
11.343563
7.67766
2.52841
other
Sr2Fe2As2F2
8
129
161.99
mp-18745
11.262006
7.903976
2.998567
other
La2Mn2Sb2O2
8
129
181.58
mp-1211368
-6.069418
-3.443501
-1.875517
other
K2La2Cu2Te8
14
129
429.08
mp-1080135
-4.651813
-3.871764
-0.26865
other
Sr2Zn2As2F2
8
129
158.31
mp-760241
10.910263
1.36869
0.309832
other
Li4Co4O4F4
16
129
151.29
mp-753930
9.85364
12.486115
-2.899756
other
Li4V2Fe2O10
18
129
204.86
mp-15275
10.246612
10.387712
3.233467
other
Na2Gd2Ti2O8
14
129
180.8
mp-1078631
-3.61077
-1.954202
-5.171676
other
Sr2Bi2S4F2
10
129
235.53
mp-6625
10.407413
7.998865
3.01965
other
La2Ag2S2O2
8
129
152.39
mp-1079647
-4.073636
-3.035736
-4.48888
other
Ba2Ag2Se2F2
8
129
185.53
mp-22621
10.34545
10.535372
3.036994
other
La2Ti2Ag2O8
14
129
191.13
mp-1046632
6.344181
10.897511
0.550299
other
Sr4Co2S2O6
14
129
233.12
mp-1201383
7.597809
7.140402
-4.510682
other
U4Cu2P4O40
50
129
887.26
mp-20287
11.258772
7.831275
3.019368
other
La4Fe4As4O4
16
129
314.53
mp-6521
9.950015
10.610192
3.147004
other
Li2La2Ti2O8
14
129
176.01
mp-1078431
-4.111298
-3.385494
-4.04862
other
La2Bi2Se4O2
10
129
256.14
mp-1079385
11.193163
7.874402
2.666851
other
Ce2Cu2Te2O2
8
129
158.2
mp-1087496
11.899113
8.275057
2.652014
other
Np2Cu2P2O2
8
129
117.7
mp-610469
-3.257224
-2.987304
-4.89981
original
Ce2Bi2S4O2
10
129
219.53
mp-9194
10.709889
8.035279
3.006389
other
Sm2Cu2Se2O2
8
129
138.5
mp-760048
10.623406
0.808477
0.697113
other
Li8Co4O4F8
24
129
219.93
mp-16088
-7.92293
0.365317
3.772234
other
Tb6Co58Si8B20
92
129
968.32
mp-1079332
-5.466136
-3.317976
4.782449
other
Hf2Cu2Si2As2
8
129
127.84
mp-1191803
10.685181
8.019809
-2.754531
other
Ag10Te2P2O8
22
129
377.75
mp-16093
-7.890306
0.338363
3.765773
other
Lu6Co58Si8B20
92
129
957.21
mp-22491
11.211944
7.808639
3.038033
other
Pr2Fe2As2O2
8
129
155.25
mp-6514
10.070596
10.363956
3.237629
other
Na2La2Ti2O8
14
129
189.58
mp-1046654
8.230971
10.812584
1.782136
other
Sr4Cr2S2O6
14
129
233.92
mp-1080455
-5.445845
-3.387219
4.238731
other
Ti2Cu2Si2As2
8
129
117.76
mp-20980
10.189469
10.34598
3.29505
other
Na2Nd2Ti2O8
14
129
185.1
mp-761481
13.54936
7.60841
-7.078822
other
Li8Fe4P4O20
36
129
371.65
mp-542187
7.783613
11.291073
1.973185
other
Sr4Mn2Cl2O6
14
129
228.76
mp-21354
-4.363178
-2.603428
-5.290298
other
Eu2Cu2S2F2
8
129
132.65
mp-1096855
-4.127039
-2.187464
-4.631444
other
Ba2Cu2Se2O2
8
129
181.67
mp-19293
7.65959
11.057969
1.407938
other
Sr16Fe8O24F8
56
129
817.96
mp-1222856
-8.096097
-4.195971
3.777014
other
La2Ge4Pd2Rh2
10
129
193.89
mp-1079008
11.195622
7.819788
3.060172
other
La2Co2As2O2
8
129
138.87
mp-613927
-5.892932
-3.457627
-1.829754
other
K2Ce2Cu2Te8
14
129
420.28
mp-6138
13.977715
5.430801
-4.557308
other
Na4Ti2Si2O10
18
129
211.28
mp-21372
11.097349
8.285143
2.7541
other
Ce2P2Ru2O2
8
129
129.65
mp-1022732
10.285511
8.882438
-0.279431
other
Fe2Bi2As2O2
8
129
152.1
mp-20349
11.119161
7.765293
3.035808
other
Sm2Fe2As2O2
8
129
146.67
mp-983603
11.288666
7.905381
2.974251
other
Er2Zn2As2O2
8
129
137.45
mp-1105030
8.232793
2.297416
-1.049212
other
Nb2N2O2F8
14
129
299.8
mp-10316
11.409869
7.974762
3.002291
other
Ce2Cd2As2O2
8
129
160.41
mp-1078453
-5.870237
-5.560033
3.599115
other
Ba2Al2Ge2F2
8
129
182.24
mp-1182473
7.165937
6.309683
-3.228629
other
Bi4Te4I4O12
24
129
572.9
mp-1079455
11.361096
7.953192
2.789245
other
Ce2Ni2As2O2
8
129
127.44
mp-1079308
11.107471
7.955743
2.651312
other
Sm2As2Ru2O2
8
129
138.32
mp-546011
11.26235
7.885855
2.935406
other
Y2Zn2As2O2
8
129
141.6