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-543033
-2.839465
-3.385685
-4.142026
other
Ce12S12N4
28
62
644.34
mp-1188601
-4.748489
1.507761
3.457648
other
Tb4B8Ru4
16
62
199.98
mp-755055
12.103494
11.512542
1.676464
other
Zr4Cr4O12
20
62
249.26
mp-1212960
-5.053649
-4.102925
5.794962
other
Er8Sc12Si16
36
62
721.89
mp-1201566
-4.451054
-2.775293
-3.751202
other
Tl12As4Se16
32
62
999.1
mp-1204982
8.848507
13.045297
-0.249716
other
Mn8Pb8O20
36
62
498.96
mp-1204897
3.178379
3.180761
-4.094521
other
Fe4N12Cl20
36
62
912.44
mp-27714
10.524347
2.561513
-3.085782
other
H12O4F4
20
62
149.99
mp-542826
-4.162719
-4.003294
-3.873503
other
Sc8Pb4Se16
28
62
701.61
mp-1214210
11.274538
12.132806
-3.046082
other
Ca20V12O48
80
62
1,165.16
mp-1188755
-8.589883
-5.043553
3.491044
other
Nd4Al4Pd8
16
62
309.46
mp-17612
11.512933
6.968951
0.500408
other
Ba8Si4O16
28
62
453.06
mp-1209609
2.854642
3.020223
-4.09668
other
Pr4N8Cl20
32
62
884.98
mp-1194241
-9.434227
-4.783874
4.036041
other
Ce4Cu20Ag4
28
62
431.09
mp-1209612
-0.275168
0.983516
-4.25771
other
Rb8La4Br20
32
62
1,140.94
mp-1192439
-2.533818
-2.75634
-5.609115
other
Ba4Er8S16
28
62
707.96
mp-1209517
8.776217
10.672852
1.848975
other
Pr8Ru4O20
32
62
502.06
mp-1189621
-7.923675
-4.352093
3.080056
other
U4Sn4Pd8
16
62
320.74
mp-1189762
8.091044
11.520829
1.258512
other
Eu4Cr4O12
20
62
223.95
mp-1180932
8.047361
11.631477
1.602329
other
La4Mn4O12
20
62
310.05
mp-17872
-5.781177
-3.905857
-1.586872
other
Ba4Y8Te16
28
62
1,010.34
mp-770653
11.465926
10.99816
-2.249368
other
Sr12W8O36
56
62
1,238.09
mp-1195065
8.426307
2.393135
2.56965
other
Ho12Se12F12
36
62
775.59
mp-772513
7.884392
10.382286
-3.79574
other
Li4Cr12O32
48
62
666.27
mp-17978
-3.500468
-4.446898
0.729634
other
Rb20Ge4P12
36
62
1,239.85
mp-570417
1.338562
2.388339
-5.26126
other
Bi48Pt8Cl80
136
62
4,568.81
mp-1196180
7.838679
7.150259
-4.625238
other
Np4S8O48
60
62
975.33
mp-11101
-8.500759
-4.841862
4.839949
other
Lu4In4Rh4
12
62
242.71
mp-1245669
0.750868
2.295809
1.997455
other
Na4Cr4N4
12
62
199.1
mp-770370
13.980238
9.418058
-1.434035
other
V12B4O24
40
62
380.26
mp-1210374
1.135479
1.737598
-5.288926
other
Na8Sm4Cl20
32
62
766.13
mp-1232243
-2.683496
-2.621498
-5.638321
other
La8Mg4S16
28
62
757.33
mp-22630
-2.698564
-2.604505
-5.809906
other
Sc8Pb4S16
28
62
608.78
mp-21125
8.016579
11.959399
1.934089
other
Lu4Mn4O12
20
62
225.33
mp-1044405
12.715726
10.620414
-0.778826
other
Zn4Mo12O28
44
62
656.49
mp-30301
6.502863
5.884402
-3.555311
other
Li4Cl4O16
24
62
276.35
mp-1199773
-5.945129
-4.905024
2.370021
other
Ce20Ge4Bi8
32
62
943.59
mp-1211179
-4.078228
-0.247469
-3.944744
other
Mn4Nb8S16
28
62
512.88
mp-10457
-5.698699
-3.915081
4.783975
other
Hf4Si4Pd4
12
62
191.86
mp-732198
8.076617
2.406415
-1.11173
other
B4N4F16
24
62
296.44
mp-29395
-1.242716
2.581423
-2.805925
other
Na4Al4I16
24
62
1,013.04
mp-1380234
9.396409
9.723625
-0.243365
other
Zn4Sn12O28
44
62
565.51
mp-19038
10.087292
12.364804
-3.630213
other
Sr4V8O24
36
62
449.81
mp-1105807
-8.456262
-5.06775
3.040116
other
Nd4Ge4Pd8
16
62
307.58
mp-561954
6.545834
11.48213
0.873463
other
Tm4Co4O12
20
62
215.83
mp-625790
9.291065
1.667506
-4.052295
other
H32N8O4
44
62
343.44
mp-1209422
1.462075
2.396477
-5.597595
other
Rb4Al4Cl16
24
62
733.92
mp-1101079
-7.899394
-2.666778
5.525952
other
Tm4Co4Ge4
12
62
199.42
mp-18307
13.598938
8.214437
-5.984408
other
Fe8P4O20
32
62
355.12
mp-1213743
1.261768
2.401685
-6.046739
other
Cs8Tm4Cl20
32
62
1,074.09
mp-1345923
10.72118
12.320451
1.997241
other
Mg4Ti4O12
20
62
201.89
mp-1209626
1.220984
2.182501
-5.733324
other
Rb8Er4Cl20
32
62
1,006.1
mp-625152
12.288711
5.444315
-2.246025
other
Al4H4O8
16
62
116.85
mp-20645
-5.695721
-2.929909
6.040308
other
Tb4Si4Ru4
12
62
214.75
mp-1232105
-2.688724
-2.718574
-5.774836
other
Er8Mg4S16
28
62
682.7
mp-1190380
-5.797076
-3.910878
-1.70895
other
Ba8Zn4Te12
24
62
895.46
mp-1212705
-8.268642
-4.343635
5.308652
other
Gd4Al4Rh4
12
62
232.1
mp-1044287
6.411569
11.698498
-1.575309
other
Ca4Co12O28
44
62
584.7
mp-24810
5.343462
-0.492953
-3.003438
other
Na4B4H16
24
62
226.22
mp-1209859
1.055045
1.736743
-5.26528
other
Rb8Pr16Cl56
80
62
2,408.88
mp-29561
-8.188775
-6.220993
2.858931
other
Ca20Sn20Au20
60
62
1,476.84
mp-19347
12.248166
12.440409
-2.153113
other
Ca4V12O28
44
62
613
mp-567681
-0.233732
1.457449
-4.599867
other
Cs4Pb4Br12
20
62
769.21
mp-15236
-4.521139
-2.237927
-3.648215
other
Cr4Sb4Se12
20
62
482.63
mp-1210642
10.716208
9.8446
-1.87246
other
Mn4Te4O12
20
62
264.14
mp-504644
8.569053
1.625634
1.990263
other
K4Ce4F16
24
62
369.13
mp-1103022
-8.752385
-5.301934
3.941813
other
Tm4Ga4Pd4
12
62
226.62
mp-18883
11.985103
10.849165
0.992909
other
Y4V4O12
20
62
224.27
mp-1189962
-2.585691
-2.749043
-5.584246
other
Pr4Sc4S12
20
62
451.33
mp-1211496
-6.984648
-4.645084
5.662614
other
Li4Tm16Ge16
36
62
767.83
mp-20733
-5.870258
-3.185966
5.733486
other
Er4Si4Ir4
12
62
209.66
mp-1210291
1.407972
2.376285
-5.633944
other
Rb4Eu8Cl28
40
62
1,284.07
mp-1211643
1.153213
2.094471
-5.638776
other
K4Ca4Cl12
20
62
572.35
mp-1103176
-5.248799
-4.044286
5.146591
other
Y4Si4Pt4
12
62
223.32
mp-1245871
2.051353
2.308524
1.636109
other
Mg4Ga4N4
12
62
163.58
mp-683501
5.450928
3.645707
-4.544667
other
Cr4C24O24
52
62
914.45
mp-1197873
6.759432
6.316353
-3.932048
other
Cr12N36O48
96
62
1,888.81
mp-1246862
0.818324
2.156631
2.14456
other
Zr4Co4N8
16
62
187.18
mp-1202520
-2.754353
-2.622365
-5.508913
other
Sm8Hf4S20
32
62
668.14
mp-866306
-2.658102
-2.715337
-5.567982
other
Ba4Nd8S16
28
62
778.67
mp-22114
-5.651072
-3.357863
5.808773
other
Er4Si4Rh4
12
62
210.23
mp-1369528
9.878284
8.633779
1.18957
other
Y4Bi4O12
20
62
313.81
mp-1196400
7.208607
6.80373
-3.589219
other
In8I8O40
56
62
894.33
mp-1201472
9.475981
8.449524
-0.380894
other
Cs12Sb4O16
32
62
818.68
mp-1247565
-5.32177
-3.790516
-1.788355
other
Sb16Te12N8
36
62
940.91
mp-1106136
-8.597263
-5.100002
3.355241
other
Gd4Ga4Pd8
16
62
295.99
mp-1207384
-5.861068
-3.081747
2.690271
other
Zr4Ge4As4
12
62
231.58
mp-758329
8.278747
4.57261
-6.640708
other
Yb4C4O12
20
62
236.99
mp-1198078
-4.10599
-3.959854
-3.590954
other
Sm8Zr4Se20
32
62
772.92
mp-20571
-5.33684
-3.968716
5.101675
other
Dy4Si4Pt4
12
62
222.18
mp-776151
9.289274
1.018797
-0.412617
other
Li4Fe4F20
28
62
394.51
mp-643770
3.240308
-0.588358
-2.532218
other
Rb8Mg4H16
28
62
594.34
mp-625148
7.844812
5.159933
-3.769837
other
H12Cl4O20
36
62
449.53
mp-779533
8.072328
8.43388
0.419234
other
Ba12Br8O8
28
62
953.23
mp-756686
12.088138
8.058414
0.222057
other
Al4Ga4O12
20
62
182.42
mp-1194622
8.154292
7.151162
-2.294785
other
Ba20I8O48
76
62
1,297.09
mp-1198504
9.38889
1.292885
-0.349706
other
Fe8N4F24
36
62
551.43
mp-1103310
-5.916104
-1.297595
2.595586
other
Nb4P4Ru4
12
62
170.31
mp-1208649
-8.02437
-3.170339
4.739051
other
Sm4Ge4Ir4
12
62
233.51
mp-22222
-5.769962
-3.240173
5.834464
other
Ho4Si4Ir4
12
62
211.91