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-755122
10.285089
2.091718
2.198229
other
Li3Fe3O1F7
14
8
163.67
mp-1202916
9.176828
2.492017
1.861189
other
U6H4O2F24
36
8
490.21
mp-2240587
10.217642
10.972276
-0.061306
other
Mg1Tl2Fe2O4
9
8
163.47
mp-756780
8.972162
13.708958
-1.482548
other
Ti3Mn3Cr2O16
24
8
265.37
mp-754259
5.825585
11.551788
-1.740493
other
Li7Nb2Fe3O16
28
8
285.45
mp-763575
12.456982
7.843624
-1.100177
other
Li20Co2Si4O20
46
8
474.87
mp-2226940
7.386955
12.567153
-1.132179
other
Mg1Zn2Ni4O8
15
8
155.15
mp-773576
8.364931
13.359159
-1.137349
other
Li1Zn2Fe9O16
28
8
312.31
mp-2228222
1.885005
1.935275
-3.786522
other
Mg1V1Br2O1
5
8
111.86
mp-1174842
3.840188
23.301012
-1.295922
other
Li8Mn2Co4O14
28
8
254.44
mp-1043112
9.494221
11.358708
-0.801174
other
Sr4Cu4Mo2O14
24
8
367.65
mp-1201822
8.708069
13.193479
-1.116655
other
Zn4Fe16Ni4O32
56
8
593.75
mp-1103663
10.459979
10.324865
3.165403
other
Sr3Ta1H1O6
11
8
174.22
mp-755370
11.340182
11.396362
3.119337
other
Ba2Nb6N2O14
24
8
374.56
mp-2219413
11.009468
12.411431
1.539207
other
Mg1Nb2Co2O8
13
8
174.5
mp-2226839
6.230148
12.616905
-1.437833
other
Mg1Zn1Ni4O8
14
8
146.75
mp-760579
9.148276
11.18632
-2.006376
other
Ti3Cu3Te2O16
24
8
288.47
mp-1235260
12.67213
12.991591
-1.674702
other
Li1V6O11F1
19
8
218.15
mp-1217952
-4.620639
-0.917495
-3.056456
other
Ta12Co3Pt3Se32
50
8
1,175.9
mp-773204
8.983484
14.064755
-1.018182
other
Li4Cr5Fe3O16
28
8
285.63
mp-1216034
-4.651313
-1.292787
-5.975374
other
Zn1In2Cu2S5
10
8
214.86
mp-771001
7.907165
13.700768
-1.05674
other
Li4Ti3Fe5O16
28
8
280.81
mp-2228470
8.126271
13.415541
-1.029897
other
Mg1Zn1Fe4O8
14
8
163.72
mp-755526
11.455575
12.196546
2.588597
other
Ba2Ti6N2O11
21
8
278.05
mp-2217999
-3.185798
-1.249042
-5.416243
other
Ba2Mg1Ti2S6
11
8
256.9
mp-2228457
9.804581
10.659544
0.591017
other
Ba3Mg1Cr2O8
14
8
226.61
mp-778358
14.251846
5.330496
-2.717673
other
Li8Mn12B12O36
68
8
753.1
mp-1220877
10.167359
12.847228
1.563385
other
Na1Ti3Fe1O8
13
8
149.4
mp-1220962
10.315995
12.186094
-3.848443
other
Na1V5Mo1O15
22
8
290.22
mp-2233083
11.727119
12.670329
-2.941006
other
Rb1Mg1V4O10
16
8
238.63
mp-2227860
11.035862
10.431483
1.169346
other
Sr1Mg1Fe1O3
6
8
77.21
mp-2228988
11.59658
9.721021
2.323338
other
Ba4Mg1Ti3O10
18
8
270.57
mp-26348
13.734982
8.588322
-6.647209
other
Li2Mo1P2O8
13
8
146.03
mp-769470
10.910728
11.765101
-1.979548
other
Li11Fe1W7O28
47
8
578.62
mp-860872
12.324733
7.517408
-7.085519
other
Li4Ni7P6O24
41
8
460.83
mp-1273508
12.5256
13.159275
-0.953835
other
Li4V6Sn2O16
28
8
313.43
mp-1174845
3.569964
23.602715
-1.395858
other
Li8Mn2Co4O14
28
8
254.09
mp-1100664
3.854626
23.114418
-1.338395
other
Li9Mn2Co5O16
32
8
290.5
mp-756097
10.338471
11.449033
-1.201495
other
Cr3Sb3Te2O16
24
8
328.09
mp-763359
8.458387
13.923862
-1.634317
other
Li1Cr2Co1O6
10
8
107.52
mp-1174309
5.88972
20.70566
-0.589762
other
Li6Mn3Co1O10
20
8
183.16
mp-2227091
8.620892
14.723811
-0.824269
other
Rb1Mg1Mn4O8
14
8
182.58
mp-1174736
3.905473
23.215195
-1.307262
other
Li8Mn2Co4O14
28
8
252.14
mp-761971
10.523024
11.708117
3.255851
other
Li3La3Nb12O36
54
8
763.05
mp-2224996
11.381041
10.815063
0.574744
other
Na1Mg1Mn1O2
5
8
71.4
mp-2222807
12.508554
11.620273
-0.192149
other
Mg1V1Sn1O4
7
8
91.1
mp-1235662
11.272021
11.677562
0.292478
other
Li1Y2Fe4O8
15
8
191.54
mp-760983
12.478786
12.433868
-0.077222
other
Li10V5Cr3O16
34
8
311.32
mp-756697
12.167582
13.102233
-1.275052
other
Li2V3Fe1O8
14
8
149.88
mp-770859
6.772915
13.43369
-2.156698
other
Mn3Co3Cu2O16
24
8
247.52
mp-2229104
12.937717
8.915369
0.620763
other
Mg1Ti2Al4O10
17
8
176.88
mp-1234476
6.082781
13.039868
-2.276337
other
Mg1Fe3Co5O16
25
8
263.57
mp-1174807
4.019943
22.998707
-1.298284
other
Li8Mn2Co4O14
28
8
249.95
mp-1223452
11.795115
11.241113
-2.434699
other
K1P2W7O25
35
8
511.2
mp-1223454
12.0488
11.24049
-2.469055
other
K1P4W8O32
45
8
667.22
mp-2224249
12.02985
13.092283
-2.031796
other
Mg1V2Cd1O6
10
8
119.65
mp-1287629
9.020517
14.710285
-0.346216
other
Li4Mn6Nb2O16
28
8
321.51
mp-778898
14.868327
8.073271
-4.940173
other
Li4Cr7P6O24
41
8
504.32
mp-1175114
3.935191
23.244717
-1.248023
other
Li7Mn2Co3O12
24
8
214.83
mp-881005
13.435274
12.67088
-0.486287
other
Li8V4O8F4
24
8
231.54
mp-776448
11.236805
11.392869
3.144087
other
Ba2Nb6N2O14
24
8
376.92
mp-1216299
-7.560845
0.950549
4.90703
other
Y2Ti2Fe22N1
27
8
348.97
mp-760934
6.208208
13.708276
-1.663551
other
Li6Co3Ni5O16
30
8
258.3
mp-2219379
8.307818
14.559276
-1.326537
other
Mg1Mn3Cu1O8
13
8
148.28
mp-754528
9.736433
11.225568
-1.819509
other
Ti2Ni3Te3O16
24
8
298.52
mp-1175015
3.927488
23.288397
-1.24146
other
Li7Mn2Co3O12
24
8
216.59
mp-2218622
6.916661
11.519404
-0.960699
other
Na4Mg1Ni2O6
13
8
164.45
mp-1212657
11.678485
7.465224
-0.315644
other
Gd4Cu2Ge4O16
26
8
327.97
mp-1100622
3.626285
23.330788
-1.409127
other
Li9Mn2Co5O16
32
8
294.58
mp-758878
10.261282
2.205418
2.322299
other
Li3Fe8O3F13
27
8
334.86
mp-1239122
-5.0078
-0.525099
-5.381941
other
Zr1Cr1Cu1S4
7
8
126.81
mp-1174862
3.537661
23.738146
-1.376675
other
Li8Mn2Co4O14
28
8
254.06
mp-2240467
10.762917
10.658897
0.472604
other
K2Mg1Fe2O4
9
8
156.47
mp-2217446
6.241917
13.362655
-1.976336
other
Mg1Fe1Co2O6
10
8
110
mp-780672
10.670986
0.94213
0.818932
other
Li8Fe4O4F12
28
8
300.28
mp-1277762
6.92633
10.920799
1.364434
other
Sr2La2Co2O8
14
8
190.12
mp-1233512
11.608813
9.701346
1.629228
other
Y5Mg1Mo2O12
20
8
276.05
mp-770800
12.872788
11.099487
1.66079
other
Li4Ti3Nb5O16
28
8
314.02
mp-1235078
7.718902
10.203012
0.706376
other
Ba4Li1Rh4O12
21
8
296.08
mp-1235114
11.882128
9.845281
2.207386
other
Ba3Li1Ti3O8
15
8
230.59
mp-2218039
8.794866
14.731918
-0.615985
other
Mg1Mn3H1O6
11
8
130.13
mp-760263
13.956682
7.551278
-6.443155
other
Na8Fe7P8O32
55
8
663.95
mp-1175311
6.299338
20.392647
-0.437952
other
Li7Mn4Co1O12
24
8
222.2
mp-1219677
14.815196
6.566998
-1.086361
other
Si18C20N2O36
76
8
1,151.05
mp-1100636
3.928835
22.965876
-1.337826
other
Li9Mn2Co5O16
32
8
289.36
mp-1275052
7.22892
11.782681
2.046624
other
Sr4La2Mn4O14
24
8
311.33
mp-2241597
10.738076
10.154351
1.461314
other
Sr2Mg1Fe1O4
8
8
115.62
mp-1004528
8.616622
1.650213
0.172865
other
Cs1B3Pb1F12
17
8
324.98
mp-1220884
-4.494196
0.079559
-4.891183
other
Na1Ti1V1S4
7
8
141.52
mp-1228274
9.454735
8.35417
-0.672587
other
Bi13Pb3Cl7O19
42
8
836.69
mp-1226202
12.935633
5.674503
-6.101169
other
Cs2Ca1P2O7
12
8
207.77
mp-1304728
8.257151
10.894667
2.22652
other
Sr12Ta4Co4O28
48
8
673.75
mp-2219304
13.220775
0.584352
1.054325
other
Mg1Fe4O5F3
13
8
156.59
mp-1217796
-7.591689
0.850414
4.898915
other
Tb2Ti2Fe22H1
27
8
344.86
mp-2217082
6.329894
13.407199
-1.953744
other
Mg1Co2Ni1O6
10
8
105.09
mp-2226161
9.296926
12.515535
-0.54818
other
Mg1Co1Ag1O2
5
8
69.47
mp-1216119
8.237064
5.799242
-3.531168
other
Y1Bi2N1O7
11
8
161.9
mp-1666304
6.538316
19.987837
-0.434039
other
Li14Mn8Co2O24
48
8
435.06
mp-2217984
9.056664
8.751874
0.877727
other
Ba2Mg1Bi2O6
11
8
212.63
mp-1219504
10.632814
9.255016
-1.27821
other
Sb3Te1Cl1O6
11
8
264.46