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-758646
9.712366
2.319721
0.459831
other
Li4V4F20
28
64
386.12
mp-1247364
1.792779
2.274258
1.121205
other
Li12Cu4N8
24
64
242.33
mp-558302
9.428461
8.407591
-0.485995
other
Bi20Br4O28
52
64
1,065.91
mp-1204617
-4.416569
-3.398649
-3.886606
other
Ba20Ga8Se32
60
64
1,881.74
mp-19760
11.113699
10.962511
-3.884321
other
Na8Mo8O28
44
64
621.31
mp-1245617
1.520369
1.922368
1.463844
other
Sr8Cr4N8
20
64
379.13
mp-1029775
0.890336
2.360347
1.679468
other
Ba4Mn4N8
16
64
255.99
mp-540730
7.173297
9.873879
-0.764709
other
Cs8Co4O12
24
64
546.77
mp-756631
14.570032
8.314006
-4.038784
other
Nb4P4O18
26
64
342.61
mp-1245629
0.754912
2.220069
1.857812
other
Ba4V4N8
16
64
271.68
mp-1245971
0.781814
2.163213
1.866531
other
Sr4Re4N8
16
64
244.88
mp-1247077
1.17944
2.147021
1.440309
other
Ba4Ir4N8
16
64
317.08
mp-27600
12.591077
6.238151
-6.004694
other
Cd12P8O32
52
64
663.15
mp-1178415
9.343284
8.450477
0.381663
other
Cs8Ce4O12
24
64
670.01
mp-753216
8.661774
0.885884
0.060575
other
Li2Ag4F8
14
64
204.14
mp-1195223
12.158171
5.578193
-2.735147
other
Ga8B12O32
52
64
429.32
mp-1194348
-3.368668
-4.35104
0.683704
other
Eu12Ga4P12
28
64
698.19
mp-761217
8.54313
11.605183
0.324899
other
Na36Mn12O36
84
64
1,160.44
mp-1191637
-6.118326
-6.012659
3.932877
other
Eu8Zn4Ge12
24
64
540.38
mp-570823
-4.191528
-2.485894
-3.547187
other
Ba2B4Se12
18
64
462.9
mp-28626
10.767662
7.954584
2.784194
other
La8S8O8
24
64
467.3
mp-19434
8.931843
10.173556
2.193945
other
Pr4Ni2O8
14
64
191.06
mp-769118
10.830661
7.78858
2.807777
other
Ho4S4O4
12
64
194.75
mp-16115
8.905483
9.505816
2.379874
other
Pr4Cu2O8
14
64
190.92
mp-557552
8.753489
0.872837
1.139642
other
Sr4Cu2F12
18
64
268.21
mp-17532
-5.081684
-3.303156
6.0647
other
Y6Si24Os8
38
64
612.24
mp-1029711
0.878108
2.555128
1.798537
other
Na4V4N8
16
64
233.07
mp-766330
-1.284452
1.895298
-1.551709
other
Ba12Ca2I28
42
64
2,138.81
mp-571479
-6.562767
-6.557785
2.972851
other
Ba8Yb8Sn24
40
64
1,327.9
mp-5603
-5.843559
-2.050483
-1.259724
other
Nb4Co4Te8
16
64
381.35
mp-556845
7.806944
2.669338
-2.221391
other
C4I4F12
20
64
467.98
mp-1245368
2.36034
1.964112
1.836927
other
Y20Ge12N36
68
64
941.01
mp-1212829
-6.988033
-5.947189
5.600142
other
Dy10Si4Sb4
18
64
464.71
mp-1209528
8.45351
1.402434
0.673232
other
Pd2Pb4F12
18
64
291.94
mp-1212206
-7.201244
-6.067437
5.532422
other
Ho10Si4Sb4
18
64
457.53
mp-1246715
1.211554
2.052659
1.607624
other
Ba8Re4N12
24
64
473.42
mp-1029506
2.712336
2.208443
1.629362
other
Ca4Si4N8
16
64
205.71
mp-1219439
-5.288226
-2.326314
5.67039
other
Sc12Fe8Si24
44
64
674.24
mp-1202318
-5.189923
-3.255454
5.902515
other
Dy6Si24Ru8
38
64
612.98
mp-18439
-4.942945
-6.112384
0.759867
other
Ba12Al4Sb12
28
64
1,107.17
mp-5354
-5.22054
-3.161567
5.922379
other
Er6Si24Ru8
38
64
600.08
mp-1204170
7.90203
5.869366
-5.407821
other
Mg10C8O36
54
64
714.06
mp-1203743
-4.282975
-4.321912
-3.761484
other
Cs4Lu28Se44
76
64
2,197.12
mp-1188179
-6.77283
-4.635187
5.48415
other
Er4Al6Ge8
18
64
347.29
mp-1199521
-5.639755
-1.843783
5.155548
other
Zr12Fe12Si24
48
64
689.3
mp-1212496
1.339289
1.841245
-4.114179
other
Hf12B2Cl28
42
64
1,021.71
mp-1245359
2.544848
2.343245
1.470691
other
In20Si12N36
68
64
913.07
mp-754982
6.562922
10.797218
-1.317964
other
Na8Co4O12
24
64
330.98
mp-1246552
0.62033
2.387116
2.037008
other
Ge12W20N36
68
64
892.19
mp-1214706
8.842587
1.698325
1.692353
other
Ba4Cr2F12
18
64
300.23
mp-616023
9.255707
1.259493
1.712752
other
Cs8Fe6F20
34
64
627.32
mp-1190462
-6.691739
-4.792077
5.631687
other
Gd4Al6Ge8
18
64
352.24
mp-1246510
1.872342
1.894752
2.445157
other
Zr20Ge12N36
68
64
973.22
mp-1247007
2.393506
2.016489
1.954495
other
Sc20Ge12N36
68
64
880.81
mp-1029773
1.734577
1.899667
1.638273
other
Ca8Ta4N12
24
64
376.97
mp-1207728
-6.758774
-5.474572
4.109253
other
Y10Ge4Sb4
18
64
478.73
mp-28557
1.481059
2.59748
-5.411386
other
Ag4Pd2Cl8
14
64
331.05
mp-1207560
1.090308
1.696183
-3.991175
other
Zr12Mn2Cl28
42
64
1,118.53
mp-28463
1.257787
2.295258
-4.007141
other
Li4Nb12Cl32
48
64
1,161.4
mp-1178581
9.541129
10.429553
3.158905
other
Ba8Ti6O20
34
64
488.39
mp-1198597
-8.937853
-0.901889
2.493352
other
Pr8Ni88C12
108
64
1,245.07
mp-28344
-1.280703
1.85673
-2.133048
other
Zr12C2I28
42
64
1,538.27
mp-1245771
1.333883
2.397297
1.992725
other
Mn20Si12N36
68
64
815.97
mp-779519
9.411984
9.370667
3.660995
other
Ba8Hf6O20
34
64
537.91
mp-1197289
-8.31175
-4.752403
2.419919
other
Ce8Sn8Pd32
48
64
906.88
mp-1247251
1.034563
2.221941
1.636801
other
Ba8Mo4N12
24
64
485.71
mp-1201499
-5.159659
-3.255723
5.945069
other
Y6Si24Ru8
38
64
615.16
mp-28449
8.161774
1.162072
0.497413
other
Cs4Tb4F20
28
64
507.22
mp-690674
-3.665198
-4.299435
-3.891526
other
Nd4As4Se4
12
64
295.2
mp-1247464
1.83486
1.815434
1.175596
other
Ba8Sb4N12
24
64
500.32
mp-18791
6.89128
11.673734
1.684607
other
Ba8Mn6O20
34
64
482.75
mp-28917
12.838117
10.868902
1.892115
other
Ba4Ti26O44
74
64
827.42
mp-1207727
-6.571107
-5.717276
5.457541
other
Y10Si4Sb4
18
64
470.55
mp-770173
8.349891
14.34902
-1.072563
other
Mg4Mn6O16
26
64
283.17
mp-8388
8.891144
0.506521
0.813911
other
K4Cu2F8
14
64
214.23
mp-29794
8.41798
1.187635
1.019506
other
Ba4Pd2F12
18
64
331.31
mp-3879
8.798525
0.971475
1.276391
other
Ba4Cu2F12
18
64
274.3
mp-29357
1.300252
1.678759
-4.155499
other
Zr12C2Cl28
42
64
1,045.53
mp-768510
9.087618
9.218434
1.518384
other
Ba8Sn6O20
34
64
534.61
mp-755142
9.701341
8.706758
2.987019
other
La4Mg2O8
14
64
197.07
mp-1245525
2.232692
2.328894
1.409731
other
Ge4Pb4N8
16
64
283.92
mp-28252
-3.087748
-1.854288
-5.488576
other
Ba20Ga8S32
60
64
1,681.83
mp-17662
9.530488
9.446678
2.399189
other
Lu4Pd2O8
14
64
178.36
mp-17304
8.730937
10.638871
1.305959
other
Ba8Ru6O20
34
64
508.47
mp-1203938
-8.274959
-2.435529
2.518293
other
Y8Ni28Sn12
48
64
778.79
mp-752673
9.06931
9.086879
2.514038
other
Dy4Cu2O8
14
64
178.92
mp-559612
9.396861
9.346165
0.307557
other
K4Li4O4
12
64
174.59
mp-1247232
1.627356
1.914601
1.200002
other
Ba8Sn4N8
20
64
495.76
mp-1029771
1.163685
2.155712
1.723591
other
Ca8Re4N12
24
64
372.33
mp-18232
-6.747368
-4.499989
5.331656
other
Ce4Al6Ge8
18
64
362.22
mp-1078316
-7.706262
-3.834149
5.072255
other
Ce4Al2Ru4
10
64
205.29
mp-29835
-5.939363
-3.537326
-2.000846
other
K8Sn4Te12
24
64
892.35
mp-1247287
1.160998
1.965844
1.462956
other
Ba8Ir4N12
24
64
473.2
mp-569576
2.52543
2.028685
1.836149
other
La20Si12N36
68
64
976.8
mp-1194302
-4.717865
-3.110576
-3.69098
other
Cs12Fe4Se12
28
64
1,089.58
mp-1213113
-7.140346
-5.376463
4.489828
other
Er10Ge4Sb4
18
64
459.21
mp-1246036
1.991989
1.983442
1.310311
other
Ba4Sn4N8
16
64
325.14
mp-1198877
-8.689602
-0.054923
2.590472
other
Dy8Ni60B36
104
64
1,032.3
mp-640159
-6.74347
-2.442704
3.360255
other
V8Ga4Sn8
20
64
351.56
mp-1105499
-8.071489
-6.275156
5.901219
other
Lu10Te4Au4
18
64
467.42