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-1044487
7.947538
8.756811
-3.214641
other
Cu13Si2Sb2O28
45
12
503.66
mp-756694
8.185554
13.196752
-0.788485
other
Li3Ti1Ni4O8
16
12
145.45
mp-756592
9.19925
13.547401
-0.62495
other
Li3Fe4Co1O8
16
12
153.78
mp-1218233
11.518065
11.519814
2.243941
other
Ta12Mn4Fe2O36
54
12
656.12
mp-696616
8.791747
1.283779
-4.321177
other
Mn1H8N4Cl2
15
12
154.49
mp-1103886
10.459142
10.943748
-3.997773
other
K1Fe2Mo2O10
15
12
235.43
mp-755212
6.253841
13.82044
-1.69277
other
Li3Co2Ni2O8
15
12
134.31
mp-754166
11.721211
12.433914
0.131766
other
Li4Ti2Fe4O10
20
12
183.25
mp-1194491
12.389141
6.588979
-6.27083
other
Zn6Cu2P4O18
30
12
346.46
mp-1079678
1.524969
2.872725
-6.045646
other
Cs2Pu1Cl4O2
9
12
299.25
mp-1218297
7.936832
11.41522
1.014325
other
Sr2Fe2O4F2
10
12
128.49
mp-780611
11.800822
13.675222
-1.345882
other
Li3V6Cr3O18
30
12
342.88
mp-2229469
12.922666
8.927823
0.658683
other
Mg1Ti2Al4O10
17
12
190.49
mp-861547
5.554837
19.157558
-1.263512
other
Li4Mn1Co3O8
16
12
148.04
mp-758964
8.526618
13.75293
-0.768511
other
Li6Ti3Fe6O18
33
12
345.21
mp-1219425
-7.472983
0.783988
4.906182
other
Sm2Ga3Fe14C2
21
12
271.95
mp-780653
12.662297
7.797436
-0.949205
other
Li20Mn2Si4O20
46
12
470.12
mp-624253
-4.554513
-0.883479
-3.036338
other
Nb4Co2Pd1Se12
19
12
423.82
mp-1190888
10.186781
3.053766
-3.849342
other
Mg1H12Br2O6
21
12
251.11
mp-556536
-4.22223
-1.322813
-5.712063
other
Na2Zr1Cu2S4
9
12
168.58
mp-758907
8.49799
0.981766
-4.203495
other
Cr1H18I7N6
32
12
544.24
mp-764005
12.878619
12.652272
-0.146919
other
Li4Ti1V3O8
16
12
152.05
mp-2219292
8.888296
14.567599
-0.520848
other
Mg1Ti1Mn3O8
13
12
159.41
mp-1214965
9.749743
11.755552
-0.447786
other
Ba3Fe8Sn3O20
34
12
511.41
mp-758163
6.719312
15.718725
-1.589077
other
Li3Mn1Co3O8
15
12
141.42
mp-10950
12.933398
5.980582
-6.383374
other
Sr2Cu1P2O8
13
12
191.63
mp-756870
7.878925
13.61804
-0.989671
other
Li3Mn1Ni4O8
16
12
143.82
mp-752665
12.770307
12.203091
0.923137
other
Li6Ti6V2O16
30
12
304.99
mp-1174247
4.361328
22.791307
-1.059675
other
Li6Mn2Co2O10
20
12
179.93
mp-1210456
-4.575223
-3.271773
-3.826212
other
Na3Eu2Ge2Se6
13
12
361.7
mp-2217968
12.140266
10.424512
0.578456
other
Sr2Mg1Mo2O6
11
12
150.14
mp-1211353
11.054035
11.339499
-2.096732
other
K2Sm2W4O16
24
12
343.79
mp-2218964
9.348616
13.736576
-0.931432
other
Mg1Mn3Te1O8
13
12
170.74
mp-754615
11.854556
13.379868
-0.158113
other
Li6V2Cr4O12
24
12
223.6
mp-559004
11.607374
11.36318
-3.924751
other
Er2Mo2Cl2O8
14
12
245.12
mp-2226677
7.11304
10.312057
-0.889994
other
Na4Mg1Co2O6
13
12
203.85
mp-1078874
10.757371
9.544075
2.925637
other
Ba2Ce1Ta1O6
10
12
162.62
mp-1194494
9.474356
2.486604
-4.155284
other
Mo2H16N4O8
30
12
297.1
mp-1213695
8.661425
9.189591
-0.089473
other
Cs8Rb4Fe4O10
26
12
666.97
mp-1103766
11.680456
11.244126
-2.616878
other
Dy2W2Cl2O8
14
12
254.91
mp-1174542
3.965689
22.984577
-1.296795
other
Li8Mn2Co4O14
28
12
252.58
mp-1078379
-4.446179
-1.118858
-4.731793
other
Fe2Bi2S4Br2
10
12
203.84
mp-756831
8.160464
15.703012
-0.444208
other
Li3Mn2Ni1O6
12
12
110.71
mp-652180
4.787538
2.97617
-3.976819
other
Au2C10S8Cl8
28
12
705.33
mp-767011
9.087234
14.40955
0.125607
other
Li7Mn3Si2O12
24
12
208.79
mp-2232657
10.204417
12.788423
-0.50053
other
Mg1Zn2Fe4O8
15
12
164.81
mp-760214
11.195033
12.159805
0.267588
other
Li12Mn2Fe4O12
30
12
282.01
mp-1219359
-7.576946
0.936296
5.073776
other
Sm2Al2Fe15C1
20
12
266.82
mp-2217187
12.053653
10.538504
2.032732
other
Na2Mg1Ti2O5
10
12
150
mp-1218532
8.001212
10.38349
1.020306
other
Sr6Ir2Ru1O12
21
12
297.86
mp-551092
9.498422
9.316848
0.409454
other
K2Li2Zn2O4
10
12
133.94
mp-753275
6.059325
13.195214
-1.484012
other
Li3Fe1Ni3O8
15
12
141.77
mp-2228538
9.402836
8.976579
2.740798
other
La4Mg1Co1O8
14
12
213.74
mp-23127
9.363896
9.222206
1.038185
other
Ba2Bi1Sb1O6
10
12
162.48
mp-1177534
12.107878
13.596856
-1.187938
other
Li3V3Co1O8
15
12
145.28
mp-1174525
3.45945
23.878124
-1.38737
other
Li7Mn2Co3O12
24
12
214.87
mp-1197180
11.36364
10.92921
-3.664612
other
Cs8Zr1Mo6O24
39
12
862.84
mp-1179106
7.380607
7.091011
-4.333045
other
U2Cu1Ge2O18
23
12
354.1
mp-1174121
3.651079
22.797905
-1.331307
other
Li5Mn2Co1O8
16
12
144.9
mp-755320
8.740875
14.112413
-0.716782
other
Li4Cr1Fe3O8
16
12
150.98
mp-2232342
9.68169
12.815741
-0.703559
other
Mg1Fe4Cu2O8
15
12
164.45
mp-755151
12.517653
10.840782
0.053782
other
Li12Al8V4O24
48
12
419.83
mp-763819
10.593235
1.034098
1.760642
other
Li4Mn7O2F14
27
12
356.38
mp-1302740
8.562412
13.05324
-0.711314
other
Li8Ni6Sb2O16
32
12
302.79
mp-754458
6.585232
13.597413
-1.288936
other
Li3Cu1Ni2O6
12
12
103.46
mp-755927
9.09175
14.093568
-1.015813
other
Li2Cr3Fe1O8
14
12
146.75
mp-1218524
7.486964
10.739741
1.301272
other
Sr6Zn1Ru2O12
21
12
288.52
mp-1210051
11.138588
11.273088
-2.179846
other
Nd2Ag2W4O16
24
12
335.71
mp-647629
9.750216
10.514202
-3.669385
other
Yb2Mo2Cl2O8
14
12
255.07
mp-1639391
6.453619
20.191017
-0.442457
other
Li14Mn8Co2O24
48
12
432.92
mp-754316
6.489114
14.134105
-1.440673
other
Li3Co1Ni2O6
12
12
103.22
mp-752816
8.307182
13.454569
-0.626761
other
Li3Ti2Ni2O8
15
12
146.08
mp-754695
10.394918
13.941133
-0.623147
other
Li2Ti1Cr3O8
14
12
146.8
mp-17335
11.058297
11.332572
-2.264858
other
Er2Ag2W4O16
24
12
315.29
mp-2229700
12.125694
12.093353
1.57196
other
Mg1Ti4Co2O10
17
12
205.75
mp-1331450
9.061365
14.437928
-0.871214
other
Mn13Si2Sb2O28
45
12
553.58
mp-555358
-3.475908
-1.687893
-5.059312
other
Ba2U1Cu2S5
10
12
235.73
mp-754709
12.348183
13.709227
-1.299425
other
Li1Ti1V3O8
13
12
149.95
mp-2233111
10.126605
12.661072
-0.581569
other
Mg1Zn2Fe4O8
15
12
163.69
mp-1247090
-4.895986
-0.51441
-5.056344
other
Mg2Ti2Fe2S8
14
12
265.85
mp-1176277
3.887116
22.980686
-1.333811
other
Li9Mn2Co5O16
32
12
287.39
mp-2219268
12.563307
10.900456
2.91003
other
Mg1Nb4N4O4
13
12
162.28
mp-758532
6.531592
13.696728
-1.990688
other
Li1Co2Cu1O6
10
12
102.71
mp-753888
7.665577
14.349072
-0.987165
other
Li3Mn1Fe3O8
15
12
150.41
mp-1176309
4.103596
22.55891
-1.32762
other
Li9Mn2Co5O16
32
12
287.05
mp-1296423
6.632974
13.9617
-2.110354
other
Li2Mn2Co6O16
26
12
278.66
mp-770661
10.14055
14.085944
-0.37262
other
Li3Mn4V1O8
16
12
160.02
mp-558255
11.557952
8.695782
-6.263631
other
V2Ag4P2O12
20
12
257.5
mp-2232413
9.913273
8.819313
2.550188
other
Pr4Mg1Cu2O8
15
12
224.28
mp-1198595
6.848801
0.503178
-3.586543
other
Li2B12H20O4
38
12
335.77
mp-759491
10.370124
0.434941
0.616445
other
Li8Mn2O2F10
22
12
225.29
mp-555425
-3.87653
-1.664845
-5.403498
other
K2Th1Cu2S4
9
12
209.5
mp-504827
11.65537
7.888671
-0.285366
other
Ga10Ge1Pb3O20
34
12
444.94
mp-555097
12.120045
6.997891
0.287615
other
Tb6Si4Cl10O12
32
12
641.71
mp-1173476
7.488549
10.925688
1.255698
other
Sr18Fe6Ru3O34
61
12
883.32
mp-1195137
9.940507
10.296851
1.33294
other
K2La10V4O26
42
12
682.34
mp-1233784
9.753419
12.138961
-0.943659
other
Mg1Co5Sb1O8
15
12
171.34
mp-754440
10.090797
14.023936
-0.70941
other
Li4Mn1Cr5O12
22
12
229.66
mp-1025240
-4.868264
-1.585076
4.45486
other
Dy2Re2Si2C1
7
12
119.2
mp-1214781
8.326774
10.518842
1.378044
other
Ba4Nd1Ru3O12
20
12
310.65