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-540554
10.367703
3.892934
-4.441781
other
Na8H40S8O32
88
14
954.93
mp-1047495
12.032929
7.467182
-4.102635
other
Ca6Mn6As8O32
52
14
766.75
mp-559575
8.174553
2.38584
-1.085894
other
As4Se4I12F24
44
14
1,151.52
mp-1210954
7.616426
10.59665
1.495772
other
Li2Sm4Ru2O12
20
14
241.11
mp-1041855
13.035695
8.911466
-2.216566
other
Ca6As8W6O32
52
14
828.54
mp-1191611
8.306368
2.617618
-1.193178
other
Ti2Cu2O8F12
24
14
319.75
mp-20431
8.561648
10.611096
0.865304
other
Ca8Fe4Sb4O24
40
14
483.28
mp-683890
-2.876069
0.653246
-3.825625
other
Cs4Re12S16Br8
40
14
1,133.12
mp-1201497
9.239364
7.278813
-3.263843
other
Bi4Pd2Se8O24
38
14
620.27
mp-1195297
9.94126
4.633305
-6.29061
other
K4H4S8O28
44
14
646.04
mp-1005754
10.808112
4.009611
-6.559074
other
Sm4H4S4O20
32
14
364.66
mp-542656
13.176664
5.747155
-6.632989
other
Cs8Al4P12O40
64
14
1,083.34
mp-26407
13.937177
6.964406
-5.834529
other
Li8Sn4P8O28
48
14
625.18
mp-18576
13.945041
4.411773
-2.134828
other
Tm4Cu2B8O20
34
14
309.25
mp-734298
9.088098
11.118399
-3.960503
other
Sr8Mg8V12O56
84
14
1,171.31
mp-1212182
2.806023
3.297374
-4.281827
other
K4Au4Cl16O8
32
14
927.23
mp-1193358
8.294077
2.571546
-1.14341
other
Mg2Si2O12F12
28
14
376.63
mp-762044
14.012946
7.298445
-5.760022
other
Li12Sb8P12O48
80
14
1,049.75
mp-760127
12.391151
7.575744
-8.110651
other
Li16Mn8P12O48
84
14
978.18
mp-1042459
12.056751
7.322673
-3.82988
other
Ca4Sn4As8O28
44
14
672.01
mp-557472
12.779469
6.391625
-0.677066
other
K8Be8Si12O36
64
14
844.63
mp-1211544
1.720565
2.550358
-4.853346
other
K4Zn4H8Cl12
28
14
783.24
mp-560104
12.26941
6.983735
-1.054507
other
Li4Ta4Ge4O20
32
14
398.99
mp-1189906
9.835608
10.146763
1.189611
other
Ca8Cr4Sb4O24
40
14
459.95
mp-1199156
6.234386
5.023238
-4.533216
other
Na4Cu2N8O24
38
14
495.09
mp-6741
13.224006
5.866577
-6.834193
other
Na4La4P16O48
72
14
1,006.02
mp-720857
10.284928
4.436854
-5.522608
other
Sb4H12S4O24
44
14
498.07
mp-768757
8.637802
6.119169
-5.991286
other
Li4Cu8S12O48
72
14
884
mp-558415
-2.605509
-0.639186
-5.354998
other
K12Cu4P8S28
52
14
1,378.04
mp-1203334
8.346393
0.980946
-4.054789
other
B4P4H36N12
56
14
576.61
mp-24566
9.65822
4.937881
-4.251543
other
Mg2H16I4O20
42
14
475.2
mp-561329
3.896928
3.017259
-4.025977
other
Se8S16N16Cl16
56
14
1,425.7
mp-757578
13.357172
6.768783
-6.622705
other
Li4Sn4P16O48
72
14
1,003.23
mp-569435
-4.128356
-2.518056
-3.360765
other
K4Bi4P8Se24
40
14
1,121.02
mp-554847
3.099023
2.910849
-4.474534
other
Sb4P4Cl24O8
40
14
1,157.66
mp-1366347
11.02959
11.796368
2.446628
other
Ca8Ta16Co8O56
88
14
1,252.9
mp-1251411
7.912903
0.998408
-4.154397
other
Na4Al4H32N16
56
14
593.71
mp-758171
13.741304
8.269139
-0.809439
other
Li8Cr8Si8O28
52
14
620.02
mp-1198908
6.466465
4.567446
-4.333285
other
C8I8N24O24
64
14
1,353.05
mp-541648
9.353718
0.652621
0.864974
other
Ba8Fe4Co4F36
52
14
793.77
mp-1203924
8.358057
3.896731
-6.385677
other
Rb4U4C12O32
52
14
812.23
mp-26481
13.233088
7.674282
-7.684633
other
Li6Cr2P4O16
28
14
276.32
mp-1200646
9.147564
1.80451
-4.207192
other
H20Br4N4O4
32
14
353.92
mp-1195407
10.294385
1.010347
-0.619626
other
K12B12O12F24
60
14
830.51
mp-554523
7.95954
2.83636
-1.454546
other
Te4Br4O12F20
40
14
701.42
mp-1182848
8.4809
4.420335
-5.006574
other
Ba12As8S32O28
80
14
2,002.43
mp-32398
10.107245
8.033854
-6.394709
other
Li12Ni4P8O32
56
14
561.77
mp-1198509
9.505874
7.098815
-3.520078
other
Ge2Pb4Se8O24
38
14
583.12
mp-1041392
10.278447
12.202032
-3.785333
other
V8Zn4Cu8O32
52
14
648.99
mp-1190023
10.611926
10.337172
1.756669
other
Li2La4Re2O12
20
14
255.55
mp-736542
12.22045
6.669421
-0.798638
other
K12Al8Si16O52
88
14
1,342.57
mp-1247934
10.725647
4.451726
-5.653492
other
Mn4H8S4O16
32
14
401.93
mp-1202140
10.049164
6.015145
-3.483184
other
Nd4B28Cl4O72
108
14
1,389.6
mp-1203544
8.235085
2.002154
-4.550482
other
H24C12N8O8
52
14
562.62
mp-758771
11.49325
7.739325
-7.647565
other
Li4Fe4P8O28
44
14
546.08
mp-1211816
-4.027223
-2.512227
-3.434168
other
K4In4P8Se24
40
14
1,178.35
mp-621944
5.607139
3.3377
-4.65636
other
Os6C24I4O24
58
14
1,130.98
mp-559927
13.948615
4.266012
-2.207047
other
Tb4Cu2B16O32
54
14
548.6
mp-727059
3.846534
2.655427
-3.608483
other
Cd4C8Br16N8
36
14
1,360.86
mp-1208198
9.137477
3.385118
-5.368797
other
U4H24C8O36
72
14
929.78
mp-1204894
9.973137
7.467467
-6.09625
other
P24Pb8N8O72
112
14
1,703.71
mp-1208922
8.192796
10.617116
1.291016
other
Sm4Ni2Pt2O12
20
14
244.63
mp-1215674
9.336154
7.132996
-3.555013
other
Zn2Cu2Se4O12
20
14
240.77
mp-1203876
7.857196
6.329635
-5.03725
other
Na8Rh4S8O44
64
14
966.11
mp-1212632
9.104003
9.814189
2.019618
other
La28Cr8B4O68
108
14
1,658.09
mp-1201381
12.489818
5.085126
-2.494941
other
Pr4B20I4O44
72
14
1,084.83
mp-24211
9.511778
4.986826
-4.172243
other
Co2H16I4O20
42
14
451.69
mp-1209742
8.693438
10.202038
1.786471
other
Pr4Mg2Pt2O12
20
14
253.91
mp-768487
13.016417
5.66622
-2.928205
other
Li12Mn4B8O24
48
14
479.83
mp-568203
-4.083025
-2.451755
-3.184027
other
K8Th4P12Se36
60
14
1,680.17
mp-1198813
9.492478
2.475363
-4.152343
other
Mo4H32N8O16
60
14
560.67
mp-1041251
13.921467
6.773911
-5.543544
other
Ca4Sn4P8O28
44
14
652.26
mp-1182507
10.874249
6.870387
-5.974352
other
B4P8Pb8O36
56
14
750.85
mp-40963
13.220481
5.509151
-6.569188
other
Na8Zn4P8O28
48
14
636.2
mp-1196135
1.488623
2.705948
-5.895349
other
Cs12Cu12Cl32O4
60
14
1,709.94
mp-1197876
7.010221
5.165397
-4.84554
other
Pr4C8Br4O28
44
14
838.14
mp-1195939
9.869491
1.864669
-3.662307
other
Pa4H32N8F28
72
14
698.68
mp-757974
13.048089
6.793624
-6.85278
other
Li4Sn4P16O48
72
14
952.64
mp-23893
9.152681
1.809366
-4.197108
other
H20Br4N4O4
32
14
358.86
mp-1369855
12.457736
11.472195
-0.500889
other
Ti2Zn4W2O12
20
14
217.66
mp-752712
13.397264
4.971653
-2.888583
other
Li4Fe4B8O20
36
14
321.59
mp-1209857
7.261698
7.301353
-4.106285
other
Rb4Ni2S4O28
38
14
688.78
mp-1213220
10.700551
7.202805
-7.620302
other
Fe8P4C4O28
44
14
571.3
mp-22208
11.242694
7.78812
-1.363896
other
Pr4Fe4Ge8O28
44
14
578.65
mp-1196962
11.962179
5.134562
-5.074732
other
K4P8H12O24
48
14
639.47
mp-1192067
4.139307
2.255238
-3.201245
other
Tl4Pd2C8N8
22
14
482
mp-757949
8.526039
3.882868
-7.393377
other
Li4Fe8C8O28
48
14
524.8
mp-561554
11.081298
8.563448
-4.199228
other
K8Mo4As8O36
56
14
889.56
mp-6815
13.077885
6.936753
-7.041841
other
Ti4Cu2P4O20
30
14
364.32
mp-1213545
7.770338
4.621818
-5.836913
other
K16Zr4C32O84
136
14
2,107.35
mp-1220112
10.975931
9.129015
3.652897
other
Nd4Zr4N4O8
20
14
282.35
mp-766582
11.986441
7.4508
-1.673485
other
Li8Si4Ni4O16
32
14
343.72
mp-562404
9.468005
7.041289
-3.368553
other
Li4Co6Se8O24
42
14
549.77
mp-1041444
10.261895
12.236839
-3.781959
other
Ca4V8Cu8O32
52
14
717.19
mp-1211783
-3.727363
-1.268766
-5.439632
other
K4Ag4Te4S12
24
14
680.05
mp-1192583
9.325606
8.534414
2.482485
other
Ba4Nd4In4O16
28
14
460.8
mp-757999
8.634302
3.527236
-7.434073
other
Li4V4C8O24
40
14
400.96
mp-765154
12.394241
7.447594
-7.332128
other
Li16Ni16P16O64
112
14
1,182.59
mp-1196031
1.454419
2.646095
-5.790903
other
Rb12Cu12Cl32O4
60
14
1,603.43
mp-779311
15.203451
6.679044
-2.093583
other
Li4Fe4B4O12
24
14
277.69