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-9968
-5.079942
-4.381481
6.239009
other
Pr4Si4
8
62
198.35
mp-1189032
-6.262192
0.469275
2.925025
other
Fe12S4
16
62
185.95
mp-2809
-3.607727
-1.397168
-5.113203
other
Sb8S12
20
62
515.71
mp-1205415
8.256074
13.380139
-1.22233
other
Fe8O12
20
62
206.17
mp-2022604
-4.567877
-2.483361
-4.211687
other
Ag8Se4
12
62
245.04
mp-20622
-8.017962
-4.237452
2.130353
other
Si4Pd12
16
62
232.85
mp-1208031
-7.991176
-6.466739
6.691306
other
Tm12Ni4
16
62
390.64
mp-1189686
-8.231594
-6.550653
6.769058
other
Nd12Ir4
16
62
479.04
mp-1208711
-0.240793
0.662831
-3.080226
other
Sm4Br8
12
62
425.96
mp-12614
-5.79663
-7.252449
3.785206
original
Ca8Cu4
12
62
366.54
mp-11230
-7.476106
-6.265079
6.608929
other
Y8Al4
12
62
320.69
mp-1102309
-6.292336
-6.891055
4.196865
other
Yb8Ga4
12
62
333.62
mp-1189947
-8.774253
-6.330681
6.931167
other
Lu12Os4
16
62
397.37
mp-1188800
-5.066563
-4.521513
1.47442
other
Sc12P4
16
62
331.75
mp-1207975
-8.708475
-6.506072
7.154457
other
Tm12Os4
16
62
400.44
mp-1468
-2.650317
-0.773353
-4.483988
other
P32S24
56
62
1,505.2
mp-31466
-7.049244
-5.905672
4.458118
other
Er20Bi12
32
62
911.06
mp-9173
10.71329
12.532544
1.957308
other
Ti4O8
12
62
136.95
mp-30610
-8.597833
-5.819892
5.769811
other
Er8Pt4
12
62
287.34
mp-1198980
-8.597772
-5.276648
5.345222
other
Tb20Pt16
36
62
831.77
mp-11551
-8.44897
-5.997295
6.182314
other
Tb8Pt4
12
62
301.15
mp-510752
7.401376
10.324531
-1.104787
other
Cu8O8
16
62
225.5
mp-540703
-4.063769
-2.302185
-4.627687
other
Cs8S4
12
62
491.39
mp-1178889
-5.748901
-2.667999
4.027112
other
U4Mo4
8
62
155.38
mp-27672
-4.87596
-2.275983
1.799477
other
Nb8P20
28
62
450.81
mp-1102640
-8.526745
-3.781103
2.087139
other
Mn4Pd8
12
62
184.18
mp-1189592
-7.786181
-6.208455
6.555774
other
La12Ru4
16
62
494.95
mp-1875
8.23747
2.10685
-0.977482
other
Te4F24
28
62
404.18
mp-1106110
-3.319407
-2.042478
-5.307957
other
Eu8S12
20
62
461.57
mp-22856
-4.094624
-1.899181
-5.025117
other
Bi8S12
20
62
517.28
mp-952967
-6.432551
-0.765283
1.685353
other
Fe28Se12
40
62
563.72
mp-1102433
9.044477
0.939462
1.289089
other
Mg4F8
12
62
120.8
mp-641541
2.608636
2.209161
1.527706
other
Ge12N16
28
62
294.69
mp-11550
-8.157773
-4.435375
4.651736
other
Sc8Pt4
12
62
244.88
mp-1189286
-5.826937
-0.139628
3.324561
other
Cr12C4
16
62
153.1
mp-754741
10.909663
10.061313
3.817333
other
Zr4O8
12
62
156.45
mp-1197932
-8.332495
-6.689718
7.140532
other
Pr28Ru12
40
62
1,151.69
mp-20974
11.828738
13.597065
-2.399904
other
V4O8
12
62
133.4
mp-1188770
-8.146731
-6.330062
6.472733
other
Er12Co4
16
62
387.68
mp-1102319
-8.698765
-5.844954
6.036498
other
Lu8Pt4
12
62
275.93
mp-22585
-8.023701
-2.338209
3.384498
other
Ge4Rh8
12
62
167.35
mp-20713
-5.23907
-4.241506
4.222691
other
Pu4Si4
8
62
177.3
mp-1191474
-3.924985
-5.452765
5.589439
other
Ca12Si12
24
62
619.08
mp-1190258
-6.50568
-6.668098
3.809862
other
Yb12Pd4
16
62
477.99
mp-21115
-5.060531
-4.440626
5.845473
other
Ce4Si4
8
62
195.57
mp-1192175
-5.160987
-1.719897
-2.819275
other
Rh8Se16
24
62
471.79
mp-567800
-5.21088
-4.458491
6.361941
other
Sm20Si16
36
62
901.16
mp-2420244
10.427757
11.915039
2.39693
other
Ti4O8
12
62
204.95
mp-557321
-2.891636
-0.94447
-4.848676
other
As16S12
28
62
799.39
mp-20672
-5.160874
-2.63705
2.871219
other
Hf12P8
20
62
356.26
mp-1078399
-4.129252
-6.656371
1.922091
other
Cs4Al4
8
62
434.21
mp-1244
-5.843441
-5.875388
3.730796
other
Sr8Ge16
24
62
650.64
mp-1188724
-2.358393
-8.302696
1.781047
other
Fe12C4
16
62
3,476.52
mp-1198692
-5.965441
-2.724386
3.976874
other
Ti20Ge16
36
62
575.3
mp-1182869
7.620764
8.509712
-2.656099
other
Al4O8
12
62
130.82
mp-27641
-0.538305
1.428765
-4.749413
other
Cs4Br12
16
62
646.53
mp-608366
4.952969
3.251022
-3.484894
other
Cu4N24
28
62
389.69
mp-571627
1.183832
2.01177
-5.172869
other
Ca4Cl8
12
62
453.87
mp-23714
3.333108
-0.696761
-2.391507
other
Sr4H8
12
62
178.64
mp-28328
-1.236658
3.076756
-2.938497
other
Rb4I12
16
62
731.69
mp-680292
0.756911
1.095693
-3.829535
other
Tm28Cl60
88
62
2,055.41
mp-510412
-7.186218
-1.769235
4.737956
other
Si12Ru16
28
62
356.45
mp-1208632
5.154684
3.196372
-3.445071
other
Zn12N72
84
62
1,303.2
mp-1408708
10.503728
11.199851
-3.065679
other
W4O12
16
62
208.88
mp-1079811
-9.091674
-6.517754
3.645398
other
Sm4Au4
8
62
200.62
mp-1105522
-6.48653
-5.207943
0.280726
other
Co4Bi12
16
62
429.76
mp-776470
1.567795
1.718124
2.577761
other
Hf12N16
28
62
335.5
mp-1198999
-8.569177
-5.252817
5.334734
other
Ho20Pt16
36
62
809.54
mp-573763
-5.701868
-3.878199
-1.90707
other
Cs8Te4
12
62
640.91
mp-1198122
-5.762177
-6.467302
3.774539
other
Sr28Ge24
52
62
1,603.48
mp-20619
-6.819253
-3.289874
0.810738
other
Sb4Rh4
8
62
149.18
mp-7342
-8.444841
-6.576677
6.928985
other
Sm12Ir4
16
62
458.04
mp-1102972
-8.67316
-6.336452
5.690949
other
Er8Au4
12
62
301.2
mp-731800
-0.00819
1.574926
-4.088153
other
Tl4Br12
16
62
955.49
mp-20163
-2.873752
-2.85823
-4.388546
other
Th8S12
20
62
469.32
mp-1102104
-8.630299
-5.920072
6.04148
other
Ho8Pt4
12
62
292.47
mp-1078609
1.638495
1.722997
1.196755
other
Sr4N4
8
62
156.76
mp-1202486
-7.963605
-6.115011
6.496096
other
La28Ru12
40
62
1,191.48
mp-1197755
-6.123054
-4.88508
1.959818
other
Sc20Sb12
32
62
749.51
mp-1102384
-3.868603
-1.969992
-5.019019
other
Rb8S4
12
62
424.19
mp-1270
-2.612918
-2.711876
-5.518443
other
Dy8S12
20
62
428.89
mp-21345
-6.872781
-4.890759
5.611797
other
La4Ge4
8
62
215.78
mp-20101
-4.534309
-5.437275
5.243372
other
Yb20Si16
36
62
908.39
mp-1188926
-5.331216
-4.207562
0.713539
other
Sc12As8
20
62
410.94
mp-1369444
5.667293
11.729951
-1.76004
other
Ni8O16
24
62
230.25
mp-1188532
-2.637376
-2.818093
-5.656869
other
Lu8S12
20
62
402.75
mp-1099
-7.656052
-1.740794
2.701944
other
Ni4Ge4
8
62
106.14
mp-2095
-5.95597
-3.45778
-1.820737
other
Rb8Te12
20
62
837.2
mp-1178770
10.038747
8.47444
3.303824
other
Y8O12
20
62
262.79
mp-17329
-2.672326
-2.601194
-5.655326
other
Pr8S16
24
62
542.77
mp-21681
-5.659459
-2.3642
3.419474
other
Nb20Ge16
36
62
614.46
mp-672188
-6.667427
-6.96577
4.712616
other
Y20Pb16
36
62
1,457.33
mp-28077
-0.09336
1.450143
-4.259016
other
Pb4Br8
12
62
380.97
mp-570679
-1.133457
1.967105
-2.642823
other
Ta8I40
48
62
2,025.28
mp-2824
-8.319085
-4.399601
2.167076
other
Al4Pd8
12
62
172.41
mp-1673
-6.93679
-4.686849
5.644217
other
Tb20Ge16
36
62
875.11
mp-2662
-5.842411
-0.928208
1.64301
other
Mn4P4
8
62
96.14
mp-10464
8.652473
1.221904
1.88479
other
Ca4F8
12
62
147.73
mp-1203966
-7.43465
-7.573415
1.846085
other
Sr8Hg64
72
62
2,019.42
mp-2102
-6.816055
-4.576531
5.505094
other
Pr4Ge4
8
62
206.2