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-697072
7.684759
6.539717
-3.377888
other
Cu4H4I4O16
28
62
360.14
mp-26195
12.522838
7.33569
-7.348834
other
Li8Ni4P16O48
76
62
889.56
mp-601286
-4.526657
-3.678108
-3.995861
other
Tb4Cu4Pb4Se12
24
62
592.8
mp-1179661
3.052204
3.089039
-4.011971
other
Ru4N12Cl20O4
40
62
977.58
mp-555842
11.369718
11.134899
-2.536893
other
Na12W4O16F4
36
62
572.13
mp-774341
9.055585
10.161425
-0.17283
other
Na40Co8H8O32
88
62
1,205.47
mp-504649
7.795718
10.229059
-3.748719
other
Rb4Cr8Fe4O32
48
62
745.21
mp-1214970
-3.89343
-1.337058
-5.512291
other
Ag24Ge4S16Br8
52
62
1,211.54
mp-557962
-3.07181
-1.235466
-5.618874
other
Sr4Li4B4S12
24
62
495.2
mp-757747
13.987811
7.301238
-4.949434
other
Li4Sn16P12O48
80
62
1,244.04
mp-573369
11.41543
10.98221
-3.742483
other
Cs12Nd4Mo12O48
76
62
1,644.27
mp-562977
10.48786
4.350266
-7.333683
other
Rb4Nb4S8O36
52
62
843.34
mp-23086
9.652782
6.851309
-3.252409
other
Er4Se4Cl4O12
24
62
447.41
mp-849311
8.366752
2.068588
-0.65114
other
Mg4Sb8H8F56
76
62
1,123.42
mp-555559
10.999941
8.299222
2.515654
other
Sm12Nb4Se12O16
44
62
813.67
mp-13718
12.583786
6.06154
-6.133723
other
Na4Cd16P12O48
80
62
1,069.56
mp-776388
12.431283
7.107963
-7.033742
other
Na4Ni4P4O16
28
62
344.67
mp-1212262
9.749187
4.091249
-4.561569
other
Mg4H24S8O12
48
62
793.63
mp-1220176
-2.907902
-2.514873
-5.765288
other
Pr8In4Cu4S20
36
62
763.71
mp-769763
9.912468
11.297532
-0.539421
other
Li20Cu4H8O16
48
62
444.3
mp-1204472
9.874806
6.761418
-2.713666
other
Y12Se8Cl4O32
56
62
920.95
mp-558257
9.614581
6.91513
-3.357784
other
Dy4Se4Cl4O12
24
62
455.51
mp-1201184
4.941617
2.591452
-5.242682
other
Ba12C4Cl16O12
44
62
1,034.69
mp-1213652
7.691676
1.976503
-4.59831
other
Cs4H8C4N20
36
62
538.48
mp-1201932
9.827953
1.916891
-3.957867
other
Cd4H20N8F12
44
62
450.88
mp-15066
12.424082
6.605649
0.130493
other
Li4Tm4Si4O16
28
62
335.78
mp-555387
13.39959
5.08435
-1.719281
other
Ba4Si8B8O32
52
62
629.46
mp-556934
8.879086
1.279569
1.187476
other
K4Na4Si4F24
36
62
522.74
mp-1213239
8.664792
0.645124
0.657461
other
Cs4Ga4Ag4F24
36
62
619.98
mp-6368
9.031395
5.108127
-5.393844
other
Cs4S4O8F4
20
62
455.25
mp-555650
9.608241
6.93486
-3.457918
other
Nd8Se8Cl8O24
48
62
838.05
mp-581165
8.172523
2.373891
-0.971797
other
Cs8Xe4Br16F112
140
62
2,616.61
mp-560939
13.795775
5.153513
-6.851397
other
Na4La4P8O28
44
62
602.12
mp-1208670
-4.417281
-3.716117
-3.93291
other
Sr4La4Cu4Se12
24
62
611.36
mp-1207730
11.596224
11.089378
-3.773236
other
Y4Tl4Mo8O32
48
62
873.31
mp-776904
10.079397
2.305988
2.235422
other
Li4Fe8O4F12
28
62
338.98
mp-720324
7.735921
5.45906
-3.969039
other
Ni4H48S8O36
96
62
1,883.09
mp-1104614
10.855381
9.131772
2.152623
other
Ca4Fe4Se4O4
16
62
320.61
mp-703295
9.070413
3.04871
-3.834773
other
Sr4H8I8O4
24
62
567.63
mp-1211733
8.214713
2.103949
-0.94638
other
Ni4As12N4F72
92
62
1,414.81
mp-648163
5.709956
3.329701
-4.590494
other
Re4C20Cl4O20
48
62
843.28
mp-541824
10.615084
12.228787
-3.695723
other
Ba4V8Cu4O28
44
62
651.67
mp-558162
12.989121
6.181216
-5.63677
other
Rb4P4O8F8
24
62
396.2
mp-26371
14.266347
8.985342
-4.544651
other
Li4Mo4P4O20
32
62
354.75
mp-775848
12.380129
7.321245
-7.308251
other
Li4Ni4P4O16
28
62
297.06
mp-1041017
11.474817
8.161442
-8.042609
other
Mn8Zn4P8O36
56
62
672.09
mp-1214768
5.38722
4.677726
-4.236174
other
Co4N28Cl4O20
56
62
1,129.13
mp-510641
13.405226
7.957936
-4.466001
other
Li4Fe4As4O16
28
62
327.91
mp-23131
2.013605
2.172576
1.07216
other
Sr8B4N8Cl4
24
62
489.18
mp-1203882
3.55329
3.518964
-3.935199
other
Ir4N16Cl12O4
36
62
744.71
mp-20445
6.78162
9.87481
-0.374924
other
Ba4Yb8Ni4O20
36
62
478.8
mp-1196862
8.162476
6.622598
-5.434563
other
Na8Fe4S8O40
60
62
850.11
mp-18177
-4.629456
-5.507636
0.815196
other
Ba12Nb4As12O4
32
62
1,049.89
mp-1193015
9.284918
1.715291
0.121826
other
Cs4V4O4F16
28
62
545.95
mp-1663944
14.300024
7.608052
-7.116058
other
Li4Mn4P4O16
28
62
303.68
mp-1019539
10.55789
4.620154
-6.539007
other
Ba4B8S12O52
76
62
999.45
mp-21527
8.80752
0.877519
1.208459
other
Na8Sc4Cu4F28
44
62
607.24
mp-1041036
14.125532
8.917461
-4.099311
other
Zn4Mo8P8O36
56
62
742.63
mp-1196464
9.060781
0.417766
0.389147
other
Cs4Fe4Ag4F24
36
62
636.63
mp-558794
11.216027
3.935614
-4.065509
other
Cu8B4H20O24
56
62
496.72
mp-1211463
10.154353
11.468285
-3.86956
other
K4V4Mo4O24
36
62
552.53
mp-867931
8.235052
6.608868
-5.148012
other
K8U4S8O48
68
62
1,203.93
mp-704617
12.263649
7.001918
-6.680496
other
In4Cu4P4O20
32
62
393.03
mp-541508
10.810949
11.676284
-3.008897
other
K4V4Pb4O16
28
62
478.34
mp-560942
-3.506774
-1.095267
-5.470507
other
Na12V4S12O4
32
62
701.01
mp-556012
4.726879
2.750793
-3.647416
other
Na4C4S4N4
16
62
342.29
mp-1179735
3.15501
3.148617
-3.995754
other
Rh4N12Cl24O4
44
62
1,114.92
mp-1044071
9.082829
7.924154
-5.529643
other
Cr4Ni4P8O36
52
62
680.78
mp-1195734
-5.742124
-3.476532
-1.447458
other
Ba8U4Cr4Te28
44
62
1,484.42
mp-767447
13.89481
8.568073
-1.094178
other
Li4V4Si4O16
28
62
307.06
mp-558270
4.528646
2.922281
-4.021344
other
Al8S40N40Cl32
120
62
3,050.61
mp-1194849
11.362386
11.112163
-3.494765
other
Na12Mo4O16F4
36
62
562.37
mp-556529
-3.939419
-1.685545
-5.311206
other
Cs8Mn4Bi8S20
40
62
1,241.67
mp-18915
13.399639
7.559309
-6.874898
other
Li4Co4P4O16
28
62
292.63
mp-1219318
-4.346362
-1.213681
-5.530428
other
Sc4Mn4Ga4S16
28
62
583.87
mp-758584
10.280031
10.168775
0.098582
other
Na40Cr8H8O32
88
62
1,264.07
mp-554903
9.586123
6.853919
-3.363868
other
Tb4Se4Cl4O12
24
62
461.49
mp-680696
1.383967
2.218357
-4.104969
other
Nb12Tl4V4Cl44
64
62
1,622.42
mp-860890
14.2999
7.397481
-6.871674
other
Li4Mn4P4O16
28
62
305.95
mp-504105
13.650603
8.781271
-1.790039
other
Li4P4W4O16
28
62
322.14
mp-556515
8.295292
2.293818
-1.360105
other
As4S4O4F36
48
62
725.05
mp-559574
13.371128
4.818089
-1.559832
other
K12Sm4B8O24
48
62
738.58
mp-758342
12.720905
6.910847
-1.322828
other
Li8Co8Si12O36
64
62
899.63
mp-558849
-3.898634
-1.635981
-5.4103
other
Cd4Bi4S8Cl4
20
62
496
mp-570850
-5.883326
-6.386251
3.733609
other
Li4Ca8In4Ge8
24
62
550.36
mp-728437
9.433764
3.047725
-4.588231
other
V4H28N8O20
60
62
555.54
mp-1202250
-5.271175
-2.689364
-4.234016
other
Cu16Bi4Se16I4
40
62
936.88
mp-6383
12.604952
6.316624
-0.782957
other
Ba4Be8Si8O28
48
62
536.52
mp-571617
-5.832042
-6.312323
3.791566
other
Sr8Li4In4Ge8
24
62
618.73
mp-567983
-4.552983
-3.705432
-3.999901
other
Er4Cu4Pb4Se12
24
62
583.43
mp-1198073
9.225197
1.619969
-4.078543
other
Cs4H16N4F8
32
62
426.73
mp-1193634
-2.595003
-0.671786
-5.369987
other
Cs4Sn4P4S16
28
62
808.12
mp-756865
14.968631
7.957565
-5.247979
other
Li4Cr4P4O16
28
62
304.16
mp-1195036
-4.367362
-3.246849
0.748682
other
Dy4Mn4Cu16P12
36
62
505.92
mp-1214521
11.399603
10.972917
-3.776359
other
Cs12La4Mo12O48
76
62
1,671.17
mp-780089
11.992564
7.271459
-2.074622
other
Li12Mn4Si8O28
52
62
559.69
mp-859104
12.446725
7.402464
-7.200736
other
Li4Ni4P12O36
56
62
769.9
mp-734367
8.278697
2.058839
-0.848464
other
K8As8O8F40
64
62
1,032.13
mp-1094113
14.033981
8.932163
-6.829618
other
Na4V8P8O36
56
62
696.8
mp-857360
14.255079
7.217924
-7.066248
other
Li4Mn4P4O16
28
62
436.3