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-1199857
10.434307
10.038672
1.39356
other
Ba16Mn16O32
64
62
1,195.58
mp-1207582
7.715031
11.707458
-0.002303
other
Yb4Cr4O12
20
62
213.37
mp-2892
9.38489
8.362607
2.935683
other
Ba4Nd8O16
28
62
483.44
mp-1213232
12.869838
5.934432
-6.131906
other
Cs4P4O12
20
62
396.86
mp-23538
1.332741
2.435186
-5.448471
other
K4Fe4Cl12
20
62
492.97
mp-754597
7.032601
8.858446
-0.718949
other
Lu4Tl4O12
20
62
278.68
mp-504555
8.821222
2.328667
1.946088
other
K4U8F36
48
62
696.3
mp-1232159
-4.141925
-4.106162
-3.843326
other
Mg4Sc8Se16
28
62
640.9
mp-1176613
9.867805
2.375475
0.401977
other
Li4V8F36
48
62
692.6
mp-22262
-5.925189
-0.588461
2.343837
other
Co4Mo4P4
12
62
143.22
mp-600663
-7.671911
-4.442923
4.768336
other
Ce4Ga4Ni4
12
62
223.45
mp-1204314
13.874661
4.158091
-2.228293
other
Gd16B48O96
160
62
1,502.06
mp-1238836
-5.384735
-0.115202
-5.88452
other
Cr8Hg4S16
28
62
507.51
mp-20507
10.152957
5.007316
-6.058722
other
Pb4S4O12
20
62
309.88
mp-1232077
-4.360756
-4.2465
-3.816147
other
Er8Mg4Se16
28
62
782.08
mp-1047349
12.828269
10.159944
0.318357
other
Zn4W8O16
28
62
344.11
mp-1208608
11.860665
7.433237
-4.548095
other
Ta4As4O20
28
62
443.7
mp-20022
-7.813331
-3.454209
4.459495
other
Ce4Ge4Ir4
12
62
235.97
mp-768814
11.601794
7.608475
0.74487
other
Y8Ge4O20
32
62
418.02
mp-696403
13.098478
4.439248
-2.938542
other
B12H12O24
48
62
453.59
mp-20083
-5.409028
-3.813841
5.451222
other
Sc4Cu4Si4
12
62
184.62
mp-35730
11.611737
8.645172
1.995092
other
Ba4U4O12
20
62
344.12
mp-505443
-5.080651
-2.466994
-3.632606
other
Na12Fe8Se16
36
62
851.16
mp-672226
-4.340545
-4.941748
5.664654
other
Ba4Mn4Si8
16
62
399.43
mp-26110
14.665243
8.990804
-5.507875
other
V4P4O16
24
62
294.48
mp-753826
-4.667719
-1.60385
-5.9068
other
Li4Cu4S4
12
62
169.23
mp-569501
-5.597382
-6.185877
0.829785
other
Li4Ca4Bi4
12
62
315.41
mp-1209406
1.074848
1.830308
-5.276801
other
Rb4Ho8Cl28
40
62
1,135.46
mp-541129
11.86203
10.660542
1.187267
other
Nd4V4O12
20
62
238.61
mp-634326
11.887548
5.026527
-3.811948
other
Ga4H4O8
16
62
131.27
mp-1200843
7.923531
10.419887
1.767352
other
Nd12Ru4O28
44
62
625.81
mp-1232249
-2.705689
-2.662894
-5.794419
other
Ho8Mg4S16
28
62
678.55
mp-1192988
-6.018872
-3.102368
-1.96442
other
Mn8Sn4Te16
28
62
835.59
mp-4544
-3.284599
-1.833973
-5.276993
other
Ba8Co4S12
24
62
636.99
mp-1105160
7.643578
10.530553
0.26071
other
Sr4Ir4O12
20
62
254.95
mp-778473
9.655026
9.049325
2.392329
other
Gd12Sb4O28
44
62
613.82
mp-4934
12.622693
6.869817
-0.233338
other
Al8Si4O20
32
62
331.09
mp-22529
-8.015273
-6.531971
2.84453
other
Sr4In4Au4
12
62
316.73
mp-29380
-5.785254
-3.623886
-1.880448
other
K16Te16As8
40
62
1,534.79
mp-9801
-6.294342
-1.69654
2.358136
other
Hf4Co4As4
12
62
175.2
mp-1208485
-6.914434
-4.496705
5.530493
other
Tb16Mg4Ge16
36
62
833.9
mp-20016
6.492082
11.489575
1.010352
other
Sm4Co4O12
20
62
211.85
mp-1209679
-6.517904
-4.610497
1.007149
other
Pr4Bi4Rh4
12
62
289.83
mp-1247230
2.330385
2.28287
1.361353
other
Ni4Sn8N8
20
62
306.07
mp-29811
-5.34095
-3.057341
1.302615
other
Hf12P12Pd16
40
62
618.8
mp-1095352
-4.807857
-5.271667
0.536359
other
Li4Eu4As4
12
62
263.51
mp-1238802
-5.479032
-0.145223
-5.706652
other
Li4Cr8S16
28
62
464.72
mp-17559
10.322065
9.768229
3.256877
other
Y8Ti4O20
32
62
429.31
mp-757850
9.846576
8.881504
0.176935
other
K16Sb8O20
44
62
909.04
mp-1179411
8.06743
2.504813
-1.362791
other
U8O20F32
60
62
1,356.97
mp-10795
-3.637393
-0.716542
-4.890866
other
Ta4Tl4S12
20
62
476.07
mp-26924
9.310743
8.118225
-5.448854
other
Cr4P4O20
28
62
354.35
mp-1214259
-3.367776
-3.830931
0.517952
other
Cd4P56Pb4
64
62
1,446.55
mp-1102565
-5.721686
-2.316853
4.850642
other
Zr4Co4Si4
12
62
177.21
mp-1376863
6.705301
8.856032
-0.855155
other
Mg4Bi4O12
20
62
267.47
mp-1207696
10.390404
8.474585
3.187581
other
Tm4Sc4O12
20
62
245.33
mp-11253
-7.992497
-6.178913
2.597136
other
Na4Sn4Au4
12
62
279.62
mp-675601
12.536667
7.734351
0.666669
other
Al12N4O12
28
62
260.84
mp-755583
11.984159
10.840999
1.078071
other
Lu4V4O12
20
62
225.24
mp-1106374
-2.644444
-2.730299
-5.512467
other
La4Lu4S12
20
62
484.78
mp-768311
7.058501
5.438135
-3.886016
other
Cs12N4O16
32
62
685.93
mp-1190623
-3.115371
-1.885663
-5.454793
other
Ba8Zn4S12
24
62
652.74
mp-28276
-0.259976
0.938776
-4.073757
other
K8Pr4Br20
32
62
1,049.4
mp-1192803
-2.684578
-2.661518
-5.941084
other
Lu8Pb4S16
28
62
652.99
mp-779599
12.06496
9.806903
2.326254
original
Dy4Ti4O12
20
62
234.66
mp-1199798
-2.89685
0.610434
-4.003248
other
Cs24Re24S48
96
62
2,894.33
mp-1204653
4.71272
2.622608
-3.470606
other
Al4C24N4
32
62
483.02
mp-1192445
-4.189267
-4.35649
-3.755117
other
Yb4Er8Se16
28
62
739.62
mp-3991
-3.346812
0.33971
2.61739
other
U4Mo4C8
16
62
199.63
mp-20948
-5.246522
-1.597633
1.683865
other
Nb4Ni4P8
16
62
220.9
mp-1043869
10.021804
9.728368
-0.421585
other
Mg4Sb12O28
44
62
606.38
mp-29333
1.274495
2.203448
-5.789667
other
Rb8Pu4Cl20
32
62
964.37
mp-1102843
-6.000242
-0.432581
2.510736
other
Fe4Mo4P4
12
62
142.62
mp-580525
-7.692094
-4.780837
3.252352
other
Dy12Ni12Sn24
48
62
1,050.97
mp-1203502
1.318705
2.194656
-4.444078
other
K4Ti16Cl44
64
62
1,537.53
mp-1105752
-7.793799
-6.445113
3.110446
other
Ca4Cd8Pd4
16
62
360.09
mp-1101477
6.205785
12.579884
-1.380803
other
Na4Ni12O20
36
62
375.44
mp-632490
-3.336045
-1.835633
-5.496816
other
Eu8Sn4S16
28
62
748.28
mp-1029536
1.825822
1.882551
2.204151
other
Mg4Zr4N8
16
62
217.42
mp-1103196
-6.186346
-0.72947
3.915492
other
Ta4Fe4Ge4
12
62
170.49
mp-555692
8.703345
3.822409
-7.108744
other
Rb8C4O12
24
62
440.76
mp-1204364
-5.89369
-3.087238
4.092488
other
Dy8Nb12Ge16
36
62
679.83
mp-20675
-5.532731
-3.426573
5.94838
other
Ho4Si4Rh4
12
62
212.25
mp-22247
-5.833149
-2.82118
5.96014
other
Er4Si4Ru4
12
62
208.93
mp-1199183
8.164415
7.561997
-4.588243
other
Zn12P8O48
68
62
1,004.59
mp-504098
9.493887
8.315525
-6.332068
other
Co4P4O16
24
62
276.4
mp-12010
9.158703
6.612672
-3.769009
other
Ba4Se4O16
24
62
383.45
mp-642315
-7.761582
-6.329991
6.223602
other
Lu24Cu4Te8
36
62
943.82
mp-683867
13.852304
4.235591
-2.193982
other
Tb16B48O96
160
62
1,479.18
mp-4929
8.763186
1.346351
0.286773
other
K4B4F16
24
62
317.63
mp-1195803
10.556876
11.810432
3.259645
other
Na12Nb12O36
60
62
755.56
mp-4891
10.904043
8.262899
2.215264
other
Ho4Al4O12
20
62
200.98
mp-1213948
-8.143036
-5.717383
3.412346
other
Ca4Zn4Pd4
12
62
240.34
mp-642750
12.68738
12.98201
-0.99691
other
Na4V8O16
28
62
280
mp-1209117
8.019522
2.926691
-2.223542
other
S4N4F12
20
62
411.73
mp-505284
9.21601
7.433497
-1.745942
other
Pb12Br8O8
28
62
730.67
mp-866811
-3.43086
-1.605438
-5.755181
other
Ca4Sn4S12
20
62
440.3
mp-754124
6.901573
11.490097
0.35759
other
Sc4Co4O12
20
62
207.54
mp-21670
-9.561289
-4.775128
4.122979
other
Th4In4Cu20
28
62
442.01
mp-1103034
-5.65525
-2.74322
5.619333
other
Sc4Co4Si4
12
62
173.26