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-1080196
1.921806
2.480021
1.088974
other
Pb12N8
20
62
487.68
mp-7343
-8.210353
-6.482901
6.57346
other
Y12Pt4
16
62
448.75
mp-1102396
-5.110937
-7.072438
3.366896
other
Ba8In4
12
62
537.86
mp-568716
-6.755073
-7.132392
3.177606
other
Sr20Ag20
40
62
1,267.07
mp-8850
-2.607822
-2.711682
-5.523509
other
Dy8S12
20
62
428.81
mp-16380
-5.829281
-3.895766
-1.295295
other
Nd8Te12
20
62
662.23
mp-600024
15.549286
5.667068
0.339777
other
Si32O64
96
62
1,941.4
mp-1189497
-7.180775
-6.332685
6.368502
other
La12Ni4
16
62
487.23
mp-13922
-5.176124
-6.816448
3.50159
other
Ba8Ge4
12
62
475.22
mp-644741
10.232443
9.269578
0.193099
other
In8O12
20
62
242.91
mp-1078538
-5.674636
-1.847342
-2.825438
other
Fe4Se4
8
62
128.44
mp-7289
-5.977359
-3.371938
-1.921518
other
K8Te12
20
62
764.34
mp-19940
-5.959714
-1.790939
1.944864
other
V4As4
8
62
121.56
mp-1195719
-7.193322
-6.116298
4.811996
other
Tm20Bi12
32
62
918.07
mp-25280
9.888635
12.170752
-4.289694
other
V8O20
28
62
405.71
mp-2714
-7.955227
-6.702985
6.576543
other
Pr8Au4
12
62
354.9
mp-1101864
6.900054
8.442408
-1.418597
other
Pr4O8
12
62
171.4
mp-1179114
7.691702
8.24643
-1.646038
other
Sc4O8
12
62
176.55
mp-29790
-5.434225
-3.711963
0.280371
other
U12Te20
32
62
979.26
mp-1637
-5.410201
-0.720405
3.097773
other
Re8P4
12
62
164.77
mp-7368
-4.129865
-4.285433
-3.677683
other
Dy8Se12
20
62
488.72
mp-623027
-7.78037
-6.62949
6.645173
other
Pr8Ga4
12
62
345.64
mp-1189701
-7.415019
-7.738541
2.091747
other
Sr4Hg12
16
62
463.1
mp-1212843
8.637848
1.324763
1.906796
other
Dy4F12
16
62
189.58
mp-543052
-7.084099
-5.768064
4.459734
other
Tm20Sb12
32
62
854.82
mp-1200515
-5.134089
-4.419376
6.098616
other
Tb20Si16
36
62
845.31
mp-7353
-9.106786
-4.344486
4.223069
other
Hf12Cu32
44
62
613.99
mp-2576
-5.67507
-6.799287
3.621205
other
Sr8Ge4
12
62
404.31
mp-542587
-7.809076
-3.684619
2.967116
other
Ge12Pt8
20
62
352.62
mp-667324
1.234945
2.407304
-5.391156
other
In64Cl96
160
62
4,790.59
mp-505541
-5.660338
-1.515071
2.189491
other
V20As12
32
62
458.45
mp-22072
8.103597
1.587904
-0.394413
other
Yb4F12
16
62
192.62
mp-27145
-5.379462
-6.247397
1.087854
other
Ca20Bi12
32
62
1,054.1
mp-21300
-6.517999
-5.975873
3.867238
other
Yb20Ge16
36
62
915.08
mp-1469
-2.648072
-0.793514
-4.492836
other
P16S12
28
62
753.52
mp-985782
7.957957
0.349089
-4.44581
other
H8C4
12
62
89.73
mp-505071
-8.056169
-4.177359
2.055176
other
Si8Pd36
44
62
642.44
mp-22855
1.32867
2.300653
-4.960576
other
Hg4Cl8
12
62
339.69
mp-23291
1.437653
2.289439
-5.08464
other
Pb4Cl8
12
62
319.98
mp-796259
5.223332
11.151495
-2.434494
other
Fe4O8
12
62
133.88
mp-555003
9.024981
2.714293
0.139661
other
W4F24
28
62
397.67
mp-17739
-5.038564
-6.186241
0.901292
other
Sr20Sb12
32
62
1,192.26
mp-1210680
-6.316157
-7.016521
2.405668
other
Mg4Pb8
12
62
333.29
mp-1189834
-8.507339
-6.167436
6.387722
other
Lu12Pt4
16
62
403.55
mp-726865
-1.106972
2.763843
-2.565947
other
K4I4
8
62
373.28
mp-30478
-5.791417
-7.232177
3.503553
other
Ca8Pb4
12
62
392.27
mp-1078557
-8.32014
-4.88619
4.46456
other
Pr4Pt4
8
62
196.83
mp-1374892
9.630747
9.899113
-0.03977
other
Sn8O16
24
62
341.74
mp-1197877
-8.3644
-5.414238
5.990575
other
La20Rh16
36
62
911.16
mp-1103643
-5.251944
-1.007065
-3.988994
other
Ni4S8
12
62
187.39
mp-1101810
-6.187751
-1.31563
3.752355
other
Ge8W4
12
62
189
mp-20418
-7.721435
-2.122882
3.853214
other
Si4Rh8
12
62
158.03
mp-1188645
-2.680917
-2.725389
-5.546084
other
Y8S12
20
62
432.22
mp-1095658
-8.347713
-6.461737
6.302134
other
Tb8Au4
12
62
315.71
mp-741
11.025372
9.901447
3.786925
other
Hf4O8
12
62
120.49
mp-1214207
3.419339
2.815307
-4.222914
other
C8Cl24
32
62
757
mp-10821
-0.591782
0.315209
0.153598
other
Rb8C8
16
62
448.25
mp-542828
-5.094756
-4.44238
6.178795
other
Dy20Si16
36
62
830.22
mp-15081
-4.105647
-4.262271
-3.654507
other
Sm8Se12
20
62
519.85
mp-1204902
-7.317734
-6.656627
5.586303
other
Nd20Pb16
36
62
1,164.68
mp-22887
1.104809
1.741809
-5.329819
other
Eu4Cl8
12
62
303.88
mp-1102919
1.020018
2.087698
-5.021618
other
Hg4Cl8
12
62
841.92
mp-1105615
-8.640273
-6.464202
6.757531
other
Dy12Ir4
16
62
424.98
mp-1188188
-6.318316
-0.133183
3.520571
other
Mn12C4
16
62
146.92
mp-1102779
-6.867414
0.655654
3.38729
other
Fe8C4
12
62
105.74
mp-17466
-5.465487
-3.400017
2.526216
other
Hf20Sb12
32
62
698.89
mp-755235
10.276182
12.236028
-4.232557
other
V8O20
28
62
511.87
mp-1214539
6.680646
6.114878
-3.554143
other
Ba4O20
24
62
388.37
mp-569855
2.048044
2.957751
-4.401008
other
Mo8Cl40
48
62
1,284.72
mp-1393075
10.255337
10.598585
-3.860755
other
Mo4O12
16
62
201.81
mp-569388
-6.224022
-2.419814
-0.552558
other
Te16Ir8
24
62
593.91
mp-776386
10.796454
10.053443
3.747494
other
Zr8O16
24
62
333.25
mp-1080459
-5.598932
-3.370969
-1.991929
other
Ge4Te4
8
62
238.68
mp-648999
-5.398067
-2.103074
2.616308
other
Nb40P24
64
62
1,015.71
mp-1188237
-8.795035
-6.286262
6.718244
other
Tm12Ir4
16
62
404.29
mp-1191118
-4.733709
-6.245731
0.692817
other
Cs16Sb8
24
62
1,187.83
mp-22735
-5.862192
-6.944053
3.412161
other
Ca8Sn4
12
62
384.81
mp-1207781
-8.219952
-6.49864
6.937115
other
Y12Ru4
16
62
430.39
mp-755759
10.790619
9.907448
3.974159
other
Zr4O8
12
62
136.73
mp-30828
-5.728216
-7.295663
3.283875
other
Sr8Pb4
12
62
470.52
mp-1102616
-7.548876
-0.952261
3.163
other
Co8Ge4
12
62
136.01
mp-568761
-5.952671
-3.078348
-2.480769
other
Ag16Te16
32
62
859.74
mp-1102090
-8.076884
-5.644732
2.992718
other
Ga8Au4
12
62
224.66
mp-1025468
-8.565723
-5.895893
3.395268
other
Ce4Au4
8
62
212.95
mp-1207599
-4.622468
-5.760836
5.005572
other
Yb8Si4
12
62
321
mp-11525
-8.220173
-5.255297
5.938934
other
Tm4Ni4
8
62
150.42
mp-1105741
-8.199717
-6.805274
7.201487
other
Pr12Ru4
16
62
482.22
mp-27648
-4.709758
-1.91638
-2.406796
other
Te16Br8
24
62
843.79
mp-1105907
-7.96783
-6.265079
6.336012
other
Er12Ni4
16
62
400.51
mp-1106
-3.990718
-5.823927
5.148116
other
Sr8Si4
12
62
400.78
mp-405
-8.152822
-4.226797
1.915384
other
Ga8Pd20
28
62
412
mp-30366
-5.688287
-7.306172
3.573611
other
Ca12Au4
16
62
528.77
mp-22876
-1.299534
3.152249
-3.014616
other
Cs4I12
16
62
805.51
mp-22908
1.489359
2.434067
-5.082252
other
Bi4Cl12
16
62
437.57
mp-1196525
-8.67052
-5.821518
6.400457
other
Sm20Rh16
36
62
829.27
mp-849533
10.76964
12.562931
2.037174
other
Ti8O16
24
62
319.84
mp-1105852
-5.332787
-4.232085
0.769278
other
Sc12As8
20
83
415.59
mp-1047895
12.504395
11.065476
-1.826072
other
Mo4O9
13
83
178.31
mp-540701
-5.751322
-1.544954
2.171355
other
V12As8
20
83
302.39
mp-1120800
-6.457057
-4.967736
0.685533
other
V12Bi8
20
83
410.67