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-1102812
9.980366
7.519028
-1.907387
other
H2Pb4I2O4
12
12
317.57
mp-552260
9.372199
5.865548
-4.562473
other
Co6C4Se4O20
34
12
433.63
mp-1209684
11.184197
11.272709
-2.197748
other
Pr2Ag2W4O16
24
12
339.66
mp-1218738
7.260167
10.012348
0.473822
other
Sr6Ca4Cu17O29
56
12
747.08
mp-1025361
-4.90892
-1.706674
4.566982
other
Gd2Re2Si2C1
7
12
123.52
mp-1235455
11.452659
9.207009
1.499701
other
Li1Eu1Y1O2
5
12
94.47
mp-754028
8.808257
3.534521
-7.645519
other
Li4Fe2C4O12
22
12
246.56
mp-1236205
12.981138
8.375454
0.250564
other
Li1Al4Zn2O8
15
12
145.59
mp-1174534
3.922839
23.062986
-1.308427
other
Li8Mn2Co4O14
28
12
252.56
mp-569961
1.490459
1.894659
1.397959
other
Sr8Mn2Fe1N8
19
12
365.88
mp-1222526
5.72859
19.315004
-0.807436
other
Li10Mn4Ni2O16
32
12
277.36
mp-2219119
8.949314
14.571516
-0.640067
other
Mg1Ti1Mn3O8
13
12
149.51
mp-754180
11.275628
12.860573
0.539219
other
Li6Ti4Co2O12
24
12
223.02
mp-1177353
8.891643
14.838513
-0.497545
other
Li4Mn5Sb1O12
22
12
260.7
mp-2226795
8.636292
14.82557
-0.70837
other
K1Mg1Mn4O8
14
12
176.48
mp-9211
-5.61445
-1.510985
5.393662
other
Tm2Fe2Si2C1
7
12
104.57
mp-2218483
12.02732
12.666167
-1.737849
other
Mg1V2Cr2O8
13
12
147.39
mp-756225
9.437845
12.866903
-0.621947
other
Li3Co4Sb1O8
16
12
159.26
mp-570961
-4.304945
-2.38751
-3.894952
other
Cd2Bi2Se4I2
10
12
299.86
mp-1236377
11.989161
9.772203
2.27289
other
Ba3Li1Ti3O8
15
12
213.82
mp-866741
12.896646
10.661242
0.531629
other
Li1Nd9Mo16O35
61
12
775.69
mp-560593
12.146292
6.875147
0.240286
other
Dy6Si4Cl10O12
32
12
632.95
mp-2228622
7.800531
13.022694
-1.416889
other
Mg1Co5Cu1O8
15
12
157.09
mp-555865
8.916245
0.945066
1.469188
other
Na2Sr7Al6F34
49
12
646.63
mp-1104229
6.785161
9.518659
-2.040943
other
Y2Fe2Cl4O6
14
12
266.93
mp-756072
6.874463
14.015212
-2.044885
other
Li1Cr1Co2O6
10
12
105.53
mp-1077164
6.640047
5.982139
-3.988596
other
Li1Ti1S2O2
6
12
106.91
mp-1218611
6.663342
11.980387
1.588019
other
Sr8La2Mn10O30
50
12
584.06
mp-1218562
10.151939
10.705594
3.34118
other
Sr4La1Ti5O15
25
12
308.4
mp-757072
8.146266
14.573663
-0.701512
other
Li3Mn1Fe2O6
12
12
114.27
mp-1174135
6.118141
18.387514
-1.133461
other
Li4Mn1Co3O8
16
12
144.71
mp-1176321
3.864883
23.015047
-1.381767
other
Li9Mn2Co5O16
32
12
287.4
mp-581263
-4.123319
-5.671118
5.141918
other
Sr13Al6Si8O1
28
12
794.76
mp-1280709
12.279737
13.310318
-1.046921
other
Li2V6Zn4O16
28
12
301.67
mp-758197
5.972323
12.628823
-1.572707
other
Li6Fe6Ni3O18
33
12
316.12
mp-1194670
8.212108
2.550394
-1.128028
other
Zr2Mn2O10F12
26
12
389.1
mp-756403
9.466171
12.672514
-0.449294
other
Li3Ni2Sb1O6
12
12
117.62
mp-1213988
7.034533
7.3364
-3.877044
other
Cd5H2N2O14
23
12
372.09
mp-641116
8.223854
14.192682
-1.20817
other
Gd1Mn4Cu3O12
20
12
203.83
mp-755645
7.577345
13.743369
-1.102906
other
Li4Ti1Fe5O12
22
12
236.04
mp-561034
10.402408
8.188994
-2.425976
other
Ag9Ge2I1O8
20
12
350.3
mp-1080511
8.943098
3.882004
-6.411883
other
Ba1Mg1C2O4
8
12
114.04
mp-861513
10.351041
7.930486
-0.505307
other
Rb10Si2H2O10
24
12
481.36
mp-971678
9.332788
12.189159
-0.412073
other
Na6Ni4Sb2O12
24
12
269.07
mp-1306592
7.086364
13.28988
-1.408416
other
Li4Ni6Sb2O16
28
12
295.59
mp-1205600
9.486009
9.709855
3.523641
other
Ba2Nd1Ta1O6
10
12
162.4
mp-1211425
11.093597
11.326964
-2.052385
other
K2Pr2W4O16
24
12
354.02
mp-1176323
3.718977
23.235561
-1.414687
other
Li9Mn2Co5O16
32
12
286.61
mp-1174586
3.828465
23.331345
-1.299466
other
Li8Mn2Co4O14
28
12
253.05
mp-1100747
3.758896
23.333275
-1.354767
other
Li9Mn2Co5O16
32
12
289.81
mp-756385
9.190104
13.811988
-1.003109
other
Li3V1Co4O8
16
12
147.67
mp-1174098
5.079315
21.35148
-0.927563
other
Li10Mn4Co2O16
32
12
280.94
mp-2227590
6.621809
11.754847
-1.652632
other
Mg1Co2Bi2O8
13
12
180.34
mp-1181058
3.071615
3.157627
-4.091632
other
Ir2Pt1N10Cl10
23
12
549.47
mp-757995
14.214019
7.814641
-5.32653
other
Li2P8W2O24
36
12
555.97
mp-1191515
9.162422
7.466482
-3.476163
other
Ca2Mn2Si4O17
25
12
311.9
mp-549711
8.512081
11.758195
0.092745
other
Ca2Fe2Cl2O4
10
12
169.17
mp-32023
9.832528
8.269561
-6.562164
other
Li2Mn4P6O24
36
12
396.63
mp-752763
10.507762
0.87308
0.744056
other
Li6Co2O2F6
16
12
145.3
mp-761870
7.962548
1.844114
-4.324889
other
H28C12N24Cl4
68
12
700.98
mp-643364
9.815775
3.917305
-3.761052
other
H2Pb2Cl2O2
8
12
141.92
mp-1025194
-5.348705
-1.813462
5.772641
other
Pr2Fe2Si2C1
7
12
119.86
mp-769928
12.961113
12.225623
-0.042929
other
Li4Nb1V3O8
16
12
156.25
mp-771355
8.733706
14.864255
-0.534143
other
Li10Ti4Mn16O40
70
12
753.82
mp-1175281
6.304873
20.346247
-0.455232
other
Li7Mn4Co1O12
24
12
218.35
mp-555084
11.603215
11.229991
-2.592754
other
Gd2W2Cl2O8
14
12
261.53
mp-558005
11.634651
11.306217
-3.858797
other
Ho2Mo2Cl2O8
14
12
247.41
mp-756839
11.587173
12.854122
0.121053
other
Li3Mn1Cr4O8
16
12
156.4
mp-2222759
9.055765
10.484393
0.275376
other
K2Mg1Co2O4
9
12
136.73
mp-570321
-4.350685
-2.473962
-3.771055
other
In2Sb4Se8Br2
16
12
469.95
mp-1213749
-1.05801
1.241102
-1.724836
other
Cs2Pr10Co2I17
31
12
1,300.87
mp-2239919
11.740391
10.599399
2.143792
other
K2Mg1Ti2O5
10
12
191.08
mp-766561
8.668956
9.267887
2.396686
other
Li1Nd14Cu6O28
49
12
681.01
mp-1129406
12.155866
6.828845
-0.872523
other
Ca2Mg5Si8O24
39
12
474.44
mp-756343
7.450329
12.413033
-1.013808
other
Li3Cu4Ni1O8
16
12
151.49
mp-1174160
3.518774
22.292683
-1.500659
other
Li5Mn1Co2O8
16
12
140.6
mp-1212215
8.391268
1.524908
0.78513
other
K6Zr4N2F24
36
12
609.76
mp-2232229
12.483657
11.927102
-0.29449
other
Mg1V2Zn4O8
15
12
165.43
mp-1225932
-7.469066
0.807108
4.838666
other
Dy2Ga3Fe14C2
21
12
266.83
mp-26911
11.933101
7.599793
-7.69706
other
Li8Cr2P4O18
32
12
347.33
mp-552191
5.893651
8.398465
-0.153444
other
Ba2Tb1Bi1O6
10
12
166.1
mp-1214040
9.104958
9.498407
0.824232
other
Ca3Nd2Sb3O14
22
12
305.45
mp-754431
7.560223
13.920883
-0.958528
other
Li3Cr1Ni2O6
12
12
105.44
mp-754319
9.075691
12.779139
-0.508061
other
Li3Nb1Ni4O8
16
12
152.01
mp-1304492
12.811625
12.188245
0.819405
other
Li12Ti12V4O32
60
12
602.13
mp-1214231
11.904428
7.307271
-4.250683
other
Ba1Zr1As2O8
12
12
201.89
mp-567515
-0.608053
1.274193
-4.478918
other
Rb2Hg2Pd1Br8
13
12
464.25
mp-2226819
12.611114
11.303787
1.732809
other
Mg1Ti3Zn2O8
14
12
156.48
mp-770958
10.640153
12.949999
0.00342
other
Li4Nb1Fe3O8
16
12
159.25
mp-1214703
7.582412
12.111726
-1.093977
other
Ba3Co8Sn3O20
34
12
504.54
mp-1173936
7.731664
17.251841
-0.455732
other
Li3Mn2Co1O6
12
12
111.66
mp-1226081
-5.345142
-0.257287
2.918867
other
Cr12As4C3N1
20
12
228.16
mp-1192303
-4.062395
-1.180587
-5.342406
other
Pr2Mn3Sb4S12
21
12
471
mp-1225368
9.878306
10.765452
0.113583
other
Dy2Mn3Sb3O14
22
12
275.21
mp-1181656
9.956439
3.724458
-4.209356
other
Cu4H6Cl2O6
18
12
193.86
mp-546862
9.311252
7.537205
-2.132003
other
Hg1Pb2Cl2O2
7
12
159.69
mp-644226
8.780816
3.521784
-5.869722
other
Ba2H4C4O10
20
12
246.57
mp-753111
8.723931
13.775515
-0.50571
other
Li7Fe3Si2O12
24
12
208.83
mp-1218687
5.778018
11.61583
0.08465
other
Sr4La1Co5O15
25
12
290.61
mp-1174259
7.370456
18.407488
-0.391089
other
Li4Mn3Co1O8
16
12
150.77