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-608206
3.445753
2.580257
-3.57095
other
Cs2C4I6N4
16
59
521.04
mp-1304341
9.388132
8.119381
-3.081811
other
Li8Fe4Si4O20
36
59
374.15
mp-1239218
-4.889071
-0.390012
-5.480418
other
Hf4Cr4Cu4S16
28
59
533.01
mp-1196336
11.549089
7.541938
-3.860488
other
Cs8U4As8O36
56
59
1,151.1
mp-735051
10.19073
3.181085
-3.923702
other
Gd2H36I6O18
62
59
863.87
mp-680283
-1.629229
0.655258
0.967747
other
Ce18B6C12Br10
46
59
933.12
mp-1983109
11.029409
11.162057
-2.323096
other
Er2Bi2W4O18
26
59
368.25
mp-1078503
1.37884
2.05248
2.378737
other
Li2Ti2N2Cl2
8
59
112.72
mp-1198775
10.599165
8.241923
-6.702047
other
V4P4H4O22
34
59
410.52
mp-559822
10.89099
9.329928
2.882328
other
La12Ta6Cl18O24
60
59
1,143.97
mp-1239257
-4.92636
-0.400905
-5.447992
other
Zr4Cr4Cu4S16
28
59
538.02
mp-561015
-0.591047
0.789742
-1.970608
other
Y18C8I16O2
44
59
1,280.38
mp-1079859
10.829003
7.967057
2.433935
other
Ca2Fe2As2F2
8
59
141.23
mp-8871
12.864061
5.17563
-2.036885
other
Cs2Na4B2O6
14
59
210.53
mp-1200456
8.797043
0.866341
1.123325
other
K6Al6O2F24
38
59
594.88
mp-560354
8.247102
2.558624
-1.180866
other
Sb2Cl2O4F12
20
59
322.36
mp-1095280
10.755682
8.936492
2.658077
other
Sr2Fe4S4O2
12
59
249.79
mp-554840
8.592271
1.030573
-4.353268
other
H26C8N2F4
40
59
318.66
mp-1238881
-4.961482
0.020526
-5.499313
other
Ti4Cr4Ag4S16
28
59
550.3
mp-8872
13.012021
4.982364
-2.116793
other
Rb2Na4B2O6
14
59
200.36
mp-572192
2.259068
2.912785
-4.616704
other
Tl2Mo4Cl14O4
24
59
683.72
mp-1247006
-4.821251
-0.331099
-5.431124
other
Zr4Cr4Ag4S16
28
59
587.21
mp-1195367
-4.503334
-3.268756
-3.494122
other
Ba16U4Pd2Se32
54
58
1,681.35
mp-1199983
10.51131
5.917165
-4.475241
other
Cu12Mo4H16O32
64
58
680.83
mp-1211252
6.263898
4.949882
-4.610821
other
Li8La4N20O60
92
58
1,158.44
mp-505217
12.349098
7.493168
-6.308843
other
Co8P4H4O20
36
58
414.34
mp-504962
9.309353
8.787368
0.249512
other
K8Na12In4O16
40
58
692.23
mp-695890
12.998559
6.685531
-1.048793
other
Mg20Si6H8O36
70
58
644.34
mp-1196835
9.183904
2.568846
0.447659
other
K12Mo8O16F20
56
58
926.2
mp-1196295
8.076775
2.476077
-1.349026
other
Mo8N12O16F20
56
58
986.18
mp-1176752
14.656329
8.108755
-5.027778
other
Li4Fe16P12O48
80
58
1,027.38
mp-1223729
9.990968
10.393917
3.330636
other
La10Ti8Ga2O34
54
58
690.38
mp-758267
14.541539
8.936849
-3.159164
other
Li4V16P12O48
80
58
1,049.5
mp-1215049
8.629155
8.152714
-4.22253
other
Ba12V8O28F20
68
58
1,020.49
mp-1177472
13.889084
5.4862
-2.648085
other
Li8Co2B4O12
26
58
241.08
mp-1210064
11.932824
10.500516
2.524663
other
Nd8Ta12Se8O32
60
58
912.67
mp-1188709
6.00967
2.059839
-3.326005
other
Fe2H4C4N8
18
58
168.6
mp-555018
8.622922
9.00581
-0.065773
other
Rb2Na4Au2O4
12
58
235.71
mp-641117
9.826924
10.626361
3.29945
other
La10Ti8Fe2O34
54
58
694.77
mp-727750
12.799262
8.13509
-7.933459
other
Mn16P12N4O48
80
58
1,071.96
mp-1208613
-4.907327
-1.970958
2.657214
other
Ta20Si4Mo2Se16
42
58
812.89
mp-559814
-3.582342
-0.99466
-5.215504
other
Li20Sb4S12I8
44
58
1,084.01
mp-760920
8.958142
12.407533
-0.029098
other
Li12Co4O8F4
28
58
303.34
mp-540945
10.221986
10.508851
0.460201
other
Na8Li12Ga4O16
40
58
441.98
mp-761233
10.467735
12.208019
0.182575
other
Li12Fe4O8F4
28
58
306.45
mp-504851
9.192299
8.759647
0.131051
other
Rb8Na12In4O16
40
58
732.75
mp-756045
14.779149
5.93659
-1.987747
other
Li8Sn2B4O12
26
58
286.02
mp-756674
9.884097
12.673156
0.277494
other
Li12Mn4O8F4
28
58
319.44
mp-604304
8.693385
1.192469
-4.20607
other
Hg2H32Br12N8
54
58
789.91
mp-559177
12.835969
6.543308
-0.617805
other
Mg14Si16O44F4
78
58
919.02
mp-863831
8.403308
10.37128
-3.53943
other
K4V8Zn10O40
62
58
906.47
mp-1211581
11.843882
10.474756
2.58105
other
La8Ta12Se8O32
60
58
936.43
mp-541569
1.872956
1.955127
1.555009
other
Sr8Li12Ta4N16
40
58
556.28
mp-775949
13.728351
5.335228
-2.700938
other
Li16Ni4B8O24
52
58
479.54
mp-1205056
7.557129
0.436298
-3.893847
other
Rb4B24H72N16
116
58
1,195.42
mp-721702
11.585577
6.558792
-4.359926
other
Zn8As4H4O20
36
58
449.85
mp-555495
13.378552
4.708892
-1.624692
other
K6Y2B4O12
24
58
364.24
mp-510654
11.872939
7.051727
-6.358913
other
Cu8P4H4O20
36
58
413.71
mp-777961
15.234159
6.540185
-1.772013
other
Li16V4B8O24
52
58
494.86
mp-728989
11.331808
7.42334
-1.195339
other
Na4Ge16Pb12O48
80
58
1,238.01
mp-721035
8.521929
4.147147
-4.415497
other
Cu8H96N48O48
200
58
2,373.88
mp-557467
13.694868
5.007373
-2.246363
other
Li8Ca2B4O12
26
58
266.41
mp-1210841
13.744239
7.639377
-1.105993
other
Mn4Fe10Si16O48
78
58
944.27
mp-756503
14.988481
5.814896
-2.129423
other
Li16Fe4B8O24
52
58
491.29
mp-646599
12.582587
7.63141
-6.889247
other
K4Co16P12O48
80
58
1,014.9
mp-754416
14.505254
5.463866
-2.363657
other
Li16Mn4B8O24
52
58
503.05
mp-1202591
13.427416
7.724986
-5.514162
other
Mn8As4H4O20
36
58
467.81
mp-21966
12.208235
7.470449
-6.939404
other
Na4Ni16P12O48
80
58
949.41
mp-1211047
-2.751265
-2.680858
-5.648229
other
Nd12Ti2In2S24
40
58
896.6
mp-1199109
13.277632
4.539132
-2.598621
other
K4Cu4B28O52
88
58
966
mp-27085
14.370699
7.663312
-6.917039
other
Li4Mn16P12O48
80
58
1,087.44
mp-1207469
9.432446
8.029443
-4.556841
other
Zn4Cu4As4O20
32
58
450.1
mp-1202220
14.628278
8.052429
-4.981162
other
K4Fe16P12O48
80
58
1,055.24
mp-556384
10.038963
11.752123
-0.659755
other
Ca4Ni2W2O12
20
58
288.77
mp-1181855
5.930964
1.921624
-3.519494
other
Co2H4C4N8
18
58
189.34
mp-1182750
4.10467
2.909691
-3.966035
other
Cr6C16N12Cl24
58
58
1,633.96
mp-555979
6.28949
4.951992
-4.645055
other
Li8Pr4N20O60
92
58
1,088.46
mp-14880
11.661907
10.394176
2.704077
other
La8Ta12S8O32
60
58
912.97
mp-849788
10.831856
3.923067
-4.397018
other
Ni8P8H96O72
184
58
1,533.1
mp-861635
12.12066
7.546097
-6.98718
other
Li4Ni16P12O48
80
58
945.31
mp-560306
14.252571
7.482061
-6.776432
other
Rb4Mn16P12O48
80
58
1,114.27
mp-540965
8.908536
11.955673
-0.0567
other
Na8Li12Fe4O16
40
58
448.13
mp-1182696
14.325005
7.256801
-5.565343
other
Cs4Nb12P12O60
88
58
1,363.58
mp-559067
8.640433
9.143376
0.017242
other
K2Na4Au2O4
12
58
225.46
mp-6105
11.979763
10.483014
2.523468
other
Pr8Ta12Se8O32
60
58
923.47
mp-1211659
13.357082
4.687864
-1.645188
other
K6Lu2B4O12
24
58
349.02
mp-1210817
11.95291
7.595267
-1.641382
other
Mn4Al4Si4O20
32
58
380.18
mp-21957
12.277713
7.408969
-6.938595
other
K4Ni16P12O48
80
58
937.79
mp-504854
7.811597
12.269188
-0.677777
other
Na8Li12Co4O16
40
58
437.99
mp-562550
4.740987
2.823816
-3.709359
other
Ag4C4S4N4
16
58
345.36
mp-1211215
6.278578
4.936366
-4.607398
other
Li8Nd4N20O60
92
58
1,137.49
mp-1202958
11.397545
7.656561
-4.864242
other
Co8As4H4O20
36
58
448.94
mp-560872
12.850577
6.868481
-1.037203
other
Mg20Ge6H8O36
70
58
674.47
mp-1189378
5.947537
1.923752
-3.502437
other
Ni2H4C4N8
18
58
190.67
mp-1203865
12.313495
7.355084
-6.914404
other
Rb4Ni16P12O48
80
58
988.81
mp-17375
8.793075
8.704791
0.043895
other
K8Na12Tl4O16
40
58
674.25
mp-1214646
8.542002
8.578867
0.688401
other
Ba4Na2U2O12
20
58
331.03
mp-669419
-3.941117
-1.844052
-5.314016
other
Cs6Cu4Bi10S20
40
58
1,138.99
mp-510742
5.839778
10.442781
-1.72328
other
Na8Li4Fe4O16
32
58
418.8
mp-15734
14.263421
7.56358
-6.853709
other
K4Mn16P12O48
80
58
1,092.48