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-1301164
6.152143
13.490303
-2.161786
other
Li2Co6Ni2O16
26
12
280.79
mp-1174184
4.541947
22.312981
-1.034694
other
Li6Mn2Co2O10
20
12
184.35
mp-2233535
8.091053
10.2121
-3.402887
other
Mg1Cr2Hg2O8
13
12
216.88
mp-550454
-4.662852
-5.319593
1.345204
other
Ba2Mn2As2O1
7
12
171.69
mp-1175361
5.325819
21.567423
-0.629878
other
Li7Mn4Co1O12
24
12
228.96
mp-560282
6.416995
5.069334
-4.431658
other
K8Ba4N16O32
60
12
973.37
mp-774337
12.260348
12.286356
0.602036
other
Li3Ti2Fe1O6
12
12
114.57
mp-567371
2.194257
2.034254
1.463244
other
Sr3Li4Ge2N6
15
12
199.45
mp-1103698
8.26965
6.490434
-5.336953
other
K1Cu2S2O10
15
12
212.95
mp-1201149
11.345744
7.60512
-6.768712
other
Fe2Cu8P4O21
35
12
430.03
mp-775158
8.700186
14.785188
-0.998641
other
Li8Mn13Cr3O32
56
12
590.15
mp-1198031
13.716517
5.131605
-2.096907
other
Mg20Sn4B8O40
72
12
707.58
mp-759411
12.880406
12.52476
-0.028823
other
Li6Ti2V4O12
24
12
226.49
mp-559456
11.072156
11.312785
-2.015968
other
K2Nd2W4O16
24
12
335.76
mp-1174091
5.084916
21.240929
-0.931754
other
Li10Mn4Co2O16
32
12
281.74
mp-1275513
12.243042
13.569331
-0.874298
other
Li4V6Cr2O16
28
12
300.37
mp-1565572
7.457676
11.881718
2.168865
other
Sr1La3Mn4O12
20
12
242
mp-753615
11.692115
-0.02751
0.3526
other
Li3Mn3O4F4
14
12
156.01
mp-755661
9.928988
13.922144
-0.519345
other
Li4Cr3Ni1O8
16
12
146.58
mp-2217926
12.648218
11.305558
1.266827
other
Mg1Ti2Mn2O6
11
12
119.95
mp-753827
8.896691
15.08239
-0.245741
other
Li3Mn4Cu1O8
16
12
156.63
mp-1193226
11.443696
8.06651
-7.227075
other
Na6V2P4O18
30
12
411.77
mp-2240470
11.074672
10.494927
0.537294
other
K2Mg1Fe2O4
9
12
143.78
mp-15141
8.512868
1.43251
1.064821
other
Na1Zr2Zn1F11
15
12
224.12
mp-1174640
3.561522
23.542297
-1.374536
other
Li8Mn2Co4O14
28
12
257.94
mp-1219255
-7.454973
0.948121
5.003761
other
Sm2Fe15Si2C1
20
12
264.66
mp-2228537
10.077168
13.074514
-0.613629
other
Mg1Ti1Fe4O8
14
12
158.92
mp-1212668
10.579547
4.566133
-7.262755
other
Ga1Ag1S2O8
12
12
156.16
mp-647969
5.658535
3.423004
-4.616009
other
Co4Ag4C16O16
40
12
684.76
mp-559176
12.617193
8.752378
0.825489
other
La4Ti5Si4O22
35
12
432.86
mp-756983
12.264362
7.762436
-1.156903
other
Li20Cu2Si4O20
46
12
474.42
mp-1192080
-4.084014
-1.172931
-5.358014
other
Nd2Mn3Sb4S12
21
12
464.68
mp-561599
9.749884
10.711059
3.216224
other
Ba6Nb4Co2O18
30
12
428.37
mp-1190722
8.069302
7.800335
-3.752097
other
Mg1U2Si2O16
21
12
394.93
mp-555683
11.600676
11.28233
-3.894951
other
Dy2Mo2Cl2O8
14
12
249.98
mp-1215097
8.606913
8.890212
1.123726
other
Ba11Cu5Bi8O29
53
12
940.91
mp-697873
7.71858
3.250483
-4.837703
other
Sn4H4C8O12
28
12
371.86
mp-2232239
13.563622
8.912637
-7.077847
other
Mg1V2P2O10
15
12
182.09
mp-756377
9.203042
14.750409
-0.191741
other
Li3Mn4Fe1O8
16
12
162.42
mp-1233632
11.263597
10.817619
0.694342
other
Ca1Y2Fe4O8
15
12
198.09
mp-1175395
4.038946
22.750904
-1.321259
other
Li9Mn2Co5O16
32
12
286.32
mp-1208319
10.742173
10.278993
3.028597
other
Tb2Ti2Cl2O6
12
12
185.3
mp-1213525
11.372348
7.88474
-1.29445
other
Er2Fe2Ge4O14
22
12
282.96
mp-2227752
8.197313
9.655972
1.525089
other
Sr2Mg1Cu1O4
8
12
127.79
mp-2228469
-5.496748
-0.644814
-4.336525
other
Mg1Zn1Co4S8
14
12
226.52
mp-1227402
7.961209
10.990116
-0.143424
other
Ca2Ir1Pt1O6
10
12
118.01
mp-2224763
6.285314
13.429246
-2.08202
other
Mg1Co3Ni1O8
13
12
138.84
mp-760036
9.29031
12.556498
-0.027383
other
Li10Co2O6F2
20
12
197.67
mp-756799
10.1045
12.155644
1.656836
other
Ti2Nb2Cu3O12
19
12
213.87
mp-754108
6.790017
14.22167
-1.824156
other
Li2Mn1Co3O8
14
12
140.66
mp-849280
11.8932
13.649972
-0.626432
other
Li3V2Cr2O8
15
12
143.64
mp-1278182
8.232161
14.216234
-1.162992
other
Y2Mn8Cu6O24
40
12
406.26
mp-2226833
12.888652
11.092257
-0.334159
other
Y1Mg1Mo3O8
13
12
184.74
mp-1173901
6.220297
19.451094
-0.801712
other
Li2Mn1Co1O4
8
12
75.51
mp-756288
8.145815
12.419266
-0.699
other
Li3Cu4Sn1O8
16
12
160.36
mp-756756
6.389287
13.144115
-1.489173
other
Li4Fe5Co1O12
22
12
213.44
mp-1177699
8.892536
14.963175
-0.521373
original
Li3Mn3Cr1O8
15
12
150.25
mp-616196
5.618287
3.241086
-4.917985
other
Os2C6I4O6
18
12
410.4
mp-15056
8.877949
1.711422
1.507243
other
Na1Zr2Ti1F11
15
12
227.55
mp-1639755
6.387728
20.265913
-0.439782
other
Li14Mn8Co2O24
48
12
435.52
mp-756844
9.879201
14.080422
-0.09279
other
Li3Mn4Sn1O8
16
12
170.13
mp-774644
10.261436
12.428451
-3.537583
other
Li11V12Cu12O48
83
12
894.72
mp-2218835
8.533433
11.475967
-2.763123
other
Mg1Cr2Co2O8
13
12
153.73
mp-1174592
3.711354
23.617292
-1.310626
other
Li8Mn2Co4O14
28
12
255.27
mp-2218663
8.275118
14.547596
-1.081156
other
Mg1Mn3Fe1O8
13
12
150.08
mp-2227554
11.39534
11.623487
-2.12633
other
K4Mg1V2O7
14
12
287.06
mp-2232918
12.168646
11.035488
1.95412
other
Na4Mg1Ti3O8
16
12
171.67
mp-1183269
8.311841
2.653774
-1.451109
other
As1N1O2F6
10
12
132.67
mp-1095340
-2.965643
-2.183197
-5.675447
other
Ba2Tb2Ag2S6
12
12
304.79
mp-540331
11.891795
7.712135
-7.629588
other
Li2Mn2P8O24
36
12
521.98
mp-1215235
10.459838
11.38466
2.344512
other
Zr1Ti1Zn4O8
14
12
165.36
mp-1177761
6.4931
13.989825
-1.547725
other
Li3Fe2Co2O8
15
12
145.49
mp-1025189
-4.714465
-1.50267
4.310986
other
Tb2Re2Si2C1
7
12
121.44
mp-1223348
7.374033
11.052016
1.493923
other
La10Fe8Ni2O30
50
12
620.55
mp-1174023
6.117535
18.334892
-1.139415
other
Li4Mn1Co3O8
16
12
145.13
mp-2222768
9.206507
9.413147
1.305398
other
Ba2Mg1Cu2O4
9
12
142.27
mp-672196
-0.882239
0.959179
-1.743255
other
La8B4C2I10
24
12
798.16
mp-768083
10.550163
11.688234
3.237332
other
Li5La3Nb14O42
64
12
889.13
mp-2217848
-3.400384
-1.039725
-5.385322
other
Ba2Mg1V2S6
11
12
259.34
mp-1177928
6.110519
13.646461
-1.998407
other
Li4Mg2Co6O16
28
12
277.27
mp-568540
-0.253233
0.981681
-4.216501
other
Ag5Hg4P8Cl5
22
12
505.02
mp-19375
10.931287
7.950001
2.735281
other
Ce2Cr2Se4O2
10
12
190.19
mp-2218168
12.312082
11.1012
-2.273907
other
Mg1Zr1Mo2O8
12
12
178.68
mp-1210725
10.234444
9.124873
-1.548986
other
Na3V4Bi20O42
69
12
1,191.37
mp-775959
8.078424
9.683328
2.258073
other
Li4La28Cu8O56
96
12
1,297.51
mp-13511
-7.400706
-4.134513
5.542912
other
Tm4In1Ni2Ge4
11
12
213.05
mp-16291
8.467025
1.520494
0.850687
other
Na1Zr2Pd1F11
15
12
235.55
mp-1220888
-4.82961
-5.357448
0.485125
other
Na1Sr2Sn6As6
15
12
418.61
mp-26399
14.505357
8.246397
-6.830116
other
Li3V1P2O8
14
12
140.28
mp-756972
12.463481
12.345004
0.875905
other
Li12Ti8Cr4O24
48
12
446.81
mp-1539400
10.010641
10.957717
2.890959
original
Sr2Ta1Cr1O6
10
12
122.92
mp-1179442
5.964174
3.131683
-3.619361
other
Sn4C32S24N8
68
12
1,270.61
mp-1104887
10.366238
10.92118
-3.964811
other
Na1Fe2Mo2O10
15
12
215.29
mp-1205855
10.674494
7.761786
2.549556
other
La2Cr2Se4O2
10
12
196.65
mp-1272359
11.596232
11.005568
0.441695
other
Ca4Cr2W2O12
20
12
240.75
mp-554061
-4.034243
-1.055292
-5.483354
other
Mn2Sb2S4Br2
10
12
235.84
mp-850355
9.061794
12.431118
0.169144
other
Li16Co4O8F8
36
12
374.13
mp-567299
3.983597
2.247811
-3.117129
other
K1C2I1N2
6
12
160.29
mp-753906
8.765745
14.477438
-0.099456
other
Li4Mn2O4F2
12
12
113.96
mp-15889
7.473375
10.265875
1.26241
other
Ba2La1Ir1O6
10
12
161.58