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-772173
9.106639
8.058168
-5.4783
other
Cr8P8O40
56
14
710.47
mp-558269
-3.015187
-2.363381
-5.478727
other
Ce8Si4S20
32
14
726.37
mp-28419
-4.730654
-2.88748
-3.61912
other
K8Te4Se12
24
14
870.35
mp-1201003
8.259263
9.435809
-0.232797
other
Cs16Fe4O16
36
14
860.17
mp-683675
11.94196
9.605335
1.178903
other
U8Mo4O32
44
14
658.02
mp-780360
9.324343
8.65943
0.554341
other
Na32Gd8O28
68
14
1,119.49
mp-778355
-0.243309
0.755802
-3.76055
other
Ba8Y8Br40
56
14
2,054.84
mp-560076
10.739289
11.190037
-1.335276
other
Nd8W8O36
52
14
670.2
mp-769005
1.126273
1.747301
-5.243458
other
Ba8Y4Cl28
40
14
1,312.82
mp-28543
9.348617
8.517387
0.114152
other
Cs16Zr4O16
36
14
952.73
mp-1196261
8.016241
2.005384
-0.373744
other
Sb8Xe4F38
50
14
1,195.33
mp-30996
-0.711764
1.234128
-4.423441
other
Rb2Au2Br8
12
14
415.86
mp-1209765
5.744824
5.077882
-4.272938
other
Rh4N24O24
52
14
875.48
mp-1198459
7.988839
6.516352
-5.068442
other
Nd8S12O64
84
14
1,275.24
mp-573751
2.090039
2.609405
-4.73949
other
Al4Te4Cl28
36
14
1,129.02
mp-5887
-7.252932
-5.011555
3.993698
other
Eu4Ni4Ge4
12
14
244.69
mp-866506
-3.42168
-1.592305
-5.719163
other
Ca4Sn8S20
32
14
922.02
mp-571637
-6.04863
-3.573108
-2.148977
other
K24Cd24Te36
84
14
3,146.51
mp-768941
9.720557
9.124123
0.177929
other
Sr6Te2O12
20
14
298.22
mp-770657
10.645191
11.307549
-1.712124
other
Gd8W8O36
52
14
669.26
mp-542085
10.792237
7.777675
1.001672
other
Sr8Ge4O16
28
14
418.46
mp-1190800
7.076799
6.322722
-3.75958
other
Co2Se4O16
22
14
339.77
mp-1203220
8.815319
11.344771
-0.599023
other
In8Rh8O24
40
14
459.51
mp-753491
10.067693
2.915102
1.852361
other
Fe6O4F4
14
14
176.81
mp-557222
10.02974
0.540238
0.293651
other
Mn4Cd4F20
28
14
420.13
mp-28394
-4.123729
-2.613132
-3.657671
other
Tl16P8Se24
48
14
1,408.65
mp-1042757
10.693224
8.172518
-4.544288
other
Cr4As8O28
40
14
575.7
mp-1179348
13.179434
6.935064
-6.303741
other
Sn4P4O16
24
14
347.83
mp-1196310
3.603461
-0.555443
-2.533682
other
Be8Ga8H40
56
14
796.19
mp-757415
10.7886
10.627307
0.430804
other
Na8Fe4O8
20
14
280.93
mp-556023
-0.447891
0.140713
-5.229197
other
Nd12S8Cl20
40
14
1,017.15
mp-760262
9.964718
2.713112
1.950412
other
Li8V8F28
44
14
573.69
mp-540537
10.489456
9.614264
-2.065124
other
Cr4Te8O22
34
14
509.75
mp-1196163
7.219073
0.281134
-3.960957
other
B12H40N4
56
14
595.95
mp-560196
11.683043
4.174811
-3.895873
other
Al4H12O12
28
14
212.34
mp-1209694
8.295325
7.783293
-4.455518
other
Sn4As8O36
48
14
709.01
mp-555672
9.138414
6.976696
-3.523865
other
Pu4Se8O24
36
14
522.72
mp-1213228
6.788783
5.88257
-3.407996
other
Fe2Cl4O8
14
14
234.95
mp-582813
-5.129108
-6.083744
0.519737
other
K40In20Sb36
96
14
3,492.43
mp-624190
-3.464005
-1.625735
-5.622249
other
Ge4Pb4S12
20
14
517.58
mp-770531
10.328616
8.334525
-7.268339
other
Mn4P8O28
40
14
458.65
mp-28178
1.680686
2.512589
-4.607258
other
Na4Nb4Cl24
32
14
856.4
mp-762304
7.822445
2.465967
0.891784
other
Bi4O4F4
12
14
199.61
mp-19346
14.440454
8.269276
-4.686557
other
Fe6P4O16
26
14
297.43
mp-1201136
6.874262
6.047801
-3.911989
other
Na8Ge4O40
52
14
829.07
mp-7800
9.872385
8.814959
3.167397
other
Li4Sm4O8
16
14
188.64
mp-1044639
9.069984
8.130527
-3.187609
other
Fe4Ge8O24
36
14
478.21
mp-626725
10.665497
4.025928
-3.509602
other
Ba8H16O16
40
14
516.82
mp-561849
10.120998
7.262568
2.938549
original
Gd8S8O4
20
14
399.9
mp-556843
11.78856
7.242856
-3.833099
other
Nd4As4O16
24
14
329.79
mp-770314
-1.252454
1.928366
-1.695067
other
Ba4La4I20
28
14
1,591.5
mp-505368
11.206943
7.497841
-3.220176
other
As4Pb6O16
26
14
399.92
mp-624474
1.958312
2.863983
-4.388654
other
Ru4S16Cl48
68
14
2,224.92
mp-667387
8.632865
8.427073
-1.431404
other
Hg32Br12O16
60
14
2,085.37
mp-541285
10.467749
9.421617
-1.859446
other
Th4Te8O24
36
14
579.32
mp-30901
10.42653
10.884006
-3.346642
other
V8Te8O36
52
14
687.64
mp-573109
9.362888
7.028971
-3.488701
other
Sm8Se20O52
80
14
1,235.17
mp-29182
11.391175
11.183146
-2.759662
other
P4W14O50
68
14
992.26
mp-31225
-3.341891
0.438744
2.692086
other
Pr8Mo8C12
28
14
449.6
mp-26314
9.381495
8.049304
-5.987858
other
Ni10P12O44
66
14
811.01
mp-768194
-3.661356
-1.313768
-5.486315
other
Li12Sb4S12
28
14
610.58
mp-1221974
-6.020338
-3.067132
-2.110655
other
Mg2Mn2Te8
12
14
346.65
mp-1238905
6.980526
6.568636
-4.001885
other
Al4Se4O40
48
14
808.8
mp-542831
11.760906
6.991146
0.666576
other
Gd8Si4O20
32
14
414.38
mp-1179741
7.490053
5.979235
-4.872314
other
Rb8S8O32
48
14
1,135.68
mp-1102857
-6.346549
-3.025447
0.096145
other
Sb4Te4Ru4
12
14
267.43
mp-636598
-0.384552
1.318509
-4.664371
other
Rb8Zn4Br16
28
14
995.48
mp-1343278
9.358512
0.940408
-0.525224
other
Zn4Ni4F20
28
14
342.4
mp-1197994
7.805904
5.454822
-5.039954
other
Ba4S16O32
52
14
1,034.58
mp-613545
2.014769
2.88196
-4.508083
other
Rh4Se8Cl28
40
14
1,450.28
mp-582182
-4.603489
-5.662122
0.454607
other
Cs40In24As32
96
14
3,596.1
mp-1201068
13.838916
6.892682
-6.167048
other
Ce4P20O56
80
14
1,090.73
mp-761914
8.658199
0.994673
-0.354329
other
Li2Ag2F8
12
14
153.97
mp-1200054
10.290948
12.189812
-4.061944
other
V16Fe8O52
76
14
1,188.98
mp-1196192
6.922525
6.988564
-4.034761
other
U4Cl8O52
64
14
1,148.06
mp-774808
8.440465
10.771913
-0.105542
other
Na24Mn8O24
56
14
832.75
mp-29387
-5.394171
-6.348047
0.818445
other
K20Sn4Bi12
36
14
1,526.39
mp-755534
10.610806
11.53428
-0.730307
other
Mg6W2O12
20
14
213.39
mp-1197383
9.06375
7.821167
-5.251036
other
Cu10P4O24
38
14
423.11
mp-5942
-3.326205
-1.227353
-5.272185
other
Na4As4S8
16
14
377.2
mp-630949
6.433762
6.051504
-3.818045
other
Na4Cl4O12
20
14
358.6
mp-1209028
9.004853
2.311844
1.368578
other
Sn12I4F20
36
14
730.58
mp-1195469
-3.247557
-1.532136
-5.471285
other
Ba8Ge8S24
40
14
1,100
mp-1189929
8.80913
1.404599
-0.188466
other
Li4Pt2F12
18
14
209.89
mp-1178632
7.788935
6.911767
-3.960349
other
Zn4Se4O20
28
14
457.4
mp-11006
-2.516972
-0.687363
-5.216283
other
Ba4P4S12
20
14
533.99
mp-769344
9.766456
10.182857
3.334881
other
Ba16Ta8O36
60
14
1,010
mp-1337320
9.262746
0.649523
0.056228
other
Ca4Cu4F20
28
14
378.07
mp-753801
8.941854
8.550932
0.255816
other
Cs4Sr4O6
14
14
363.21
mp-1199702
-3.15498
-1.633877
-5.527093
other
Ba16Ga8S32
56
14
1,563.02
mp-16834
11.373817
7.313246
-4.049465
other
Zn6As4O16
26
14
345.34
mp-1213624
11.065198
10.591744
-4.012037
other
Ga16Mo24O96
136
14
2,293.66
mp-9788
-2.377962
-0.605756
-5.307054
other
Sr4P4S12
20
14
484.9
mp-556738
8.618011
1.484577
1.366195
other
Ba4Zr4F24
32
14
454.41
mp-1200311
8.318264
7.19891
-3.550771
other
Ca8B16O48
72
14
849.46
mp-555512
8.421438
3.685787
-6.597466
other
Rb8C8O16
32
14
531.45
mp-772265
10.516312
8.2339
-7.472578
other
Mn4P4O16
24
14
345.31
mp-28211
1.986265
2.807204
-4.336373
other
Ir4S12Cl44
60
14
1,638.02
mp-557976
7.225471
3.327781
-4.859947
other
Na4C8O8
20
14
257.4
mp-26986
12.379336
7.847188
-7.541977
other
Fe6P8O28
42
14
512.53