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-1227893
7.952302
10.566107
1.815323
other
Ba1Pr3Ni2O8
14
38
191.25
mp-1522449
7.60219
9.251527
-1.196209
other
K1Sm1Ti4O12
18
38
235.46
mp-2223607
10.752041
1.479457
1.921349
other
Mg1Mn2O2F2
7
38
99.14
mp-1516721
7.872272
8.590632
-2.738414
other
Ca1Zn1Ge4O12
18
38
204.79
mp-2218507
9.661174
12.366168
-2.463147
other
Mg1Mn2Cr2O8
13
38
164.28
mp-1104700
6.673525
6.304741
-3.694588
other
K1Ca1As1O12
15
38
220.62
mp-1226822
-8.33435
-4.858734
3.974983
other
Ce2Y1Al3Pd3
9
38
185.42
mp-1220130
-7.702817
0.988555
5.105555
other
Pr7Y1Fe56B4
68
38
937.74
mp-1521367
7.559164
8.551604
-0.211175
other
Ba1Nd1Zr4O12
18
38
289.63
mp-1218689
12.6034
12.905101
-1.017058
other
Sr2V11Ni1O22
36
38
402.57
mp-2224273
8.12215
14.336661
-1.245002
other
Mg1Mn1Co1O4
7
38
79.92
mp-1522389
7.814466
11.038219
-2.676617
other
Ca1Sm1Cr4O12
18
38
209.79
mp-1235339
11.708803
11.41326
2.371184
other
Li1Nb3O7F1
12
38
169.17
mp-1218643
10.979689
11.18801
3.080389
other
Sr3Nd2Nb10O30
45
38
640.25
mp-1227666
9.579403
7.643941
-3.267404
other
Ca4Mn6Si5O28
43
38
526.04
mp-1218555
6.236145
11.567891
0.969686
other
Sr6Mn3Fe1O14
24
38
308.01
mp-1519404
6.870347
7.558327
-2.403255
other
K1Gd1Hf4O12
18
38
702.97
mp-1520501
7.679023
8.591436
-0.836355
other
Ca1Eu1Hf4O12
18
38
252.81
mp-1521222
7.431009
8.592688
-0.559817
other
Ba1Sr1Zr4O12
18
38
296.95
mp-1519556
7.021494
8.716892
-2.044461
other
K1Nd1Sn4O12
18
38
273.11
mp-1227435
-3.517997
-1.034767
-4.939756
other
Ba2V2Se2S4
10
38
237.96
mp-1520905
7.476233
8.660599
-1.290746
other
K1Hf4Bi1O12
18
38
268.11
mp-1233105
13.615545
6.347337
-5.314819
other
Ba6Mg1P6O21
34
38
581.95
mp-1519495
7.433022
8.657331
-0.638615
other
Sr1Ca1Zr4O12
18
38
281.79
mp-2227422
-4.029981
-0.373398
-4.50584
other
Mg1Mo2Se2S2
7
38
230.23
mp-1218566
6.471622
10.793797
0.313605
other
Sr1Eu3Ni2O8
14
38
180.3
mp-1522855
7.382647
8.68686
-0.959877
other
K1Eu1Zr4O12
18
38
284.92
mp-1518844
7.463795
8.594254
-0.762075
other
K1Pr1Zr4O12
18
38
288.89
mp-2226443
12.042709
12.049667
-2.295413
other
Mg1V2In2O8
13
38
175.83
mp-1217497
-7.687716
-3.329452
4.727803
original
Tb1Nd1Ni2Ge4
8
38
146.96
mp-1219897
-6.970667
-4.613517
5.685552
other
Pr5Al4Ag2Ge4
15
38
355.86
mp-1519272
8.174235
8.40934
-3.009659
other
Ca1Fe1Ge4O12
18
38
203.44
mp-1519063
5.733896
11.745646
-1.60794
other
Ca1Nd1Co4O12
18
38
211.6
mp-2231386
9.67127
11.627672
-1.361417
other
Mg1Mo2Rh4O12
19
38
218.23
mp-1218450
6.201622
11.007795
0.509196
other
Sr3La1Ni2O8
14
38
186.02
mp-1516639
7.816624
9.518428
-0.475299
other
Eu1Dy1Ti4O12
18
38
227.7
mp-1522681
10.125388
12.252433
-3.89323
other
K1Nd1V4O12
18
38
257.24
mp-1517013
11.752645
11.32335
-2.075981
other
Na1Li1W4O12
18
38
225.58
mp-2233530
11.828035
12.478535
-2.892303
other
Mg1V2Fe2O8
13
38
164.62
mp-1208742
7.69041
11.921895
2.05713
other
Sr8Mn6B2O20
36
38
475.12
mp-2241022
11.422108
9.385849
2.636468
other
Lu4Mg1Ti2O10
17
38
230.96
mp-1522964
7.916989
11.074192
-2.710725
other
Pr1Mg1Cr4O12
18
38
205.67
mp-1208718
7.653596
11.925664
2.060589
other
Sr8Mn6B2O20
36
38
475.11
mp-1221967
13.129632
7.942354
-1.094618
other
Mg1Fe1Si2O6
10
38
85.99
mp-1519675
10.121788
12.210407
-3.486378
other
Ca1Dy1V4O12
18
38
208.25
mp-2233734
8.502714
11.141754
-0.081193
other
Na4Mg1Fe2O6
13
38
197.17
mp-1222452
9.541989
8.325457
-0.636805
other
Li1Bi3Cl2O4
10
38
187.69
mp-2215966
12.523708
10.876537
2.146261
other
Mg1Nb3O7F1
12
38
176.95
mp-2226547
12.286832
11.952602
-0.937144
other
Mg1V1Rh1O4
7
38
82.44
mp-1223762
1.276066
2.541614
-5.592045
other
K6Pd3Br4Cl8
21
38
683.46
mp-2227439
11.736224
11.9915
0.379927
other
Mg1Al1Cr1O4
7
38
75.45
mp-1518323
7.760143
9.537292
-0.866857
other
Sm1Ti4Zn1O12
18
38
222.3
mp-2240968
10.56598
12.100137
-3.697248
other
Mg1V2Co2O8
13
38
159.6
mp-1217453
10.372962
8.09579
-2.091792
other
Te1Pb3Br2O4
10
38
214.42
mp-2219132
8.720836
11.665823
-2.759829
other
Mg1Cr2Co2O8
13
38
155.67
mp-1523217
10.075957
12.506831
-3.634344
other
Na1Ce1V4O12
18
38
209.71
mp-1521073
7.721847
8.520059
-0.345746
other
Sr1Nd1Hf4O12
18
38
272.87
mp-2225589
10.155054
2.682268
1.837084
other
Mg1Fe2O2F2
7
38
93.06
mp-2217125
14.133381
8.079134
-2.788579
other
Mg1Fe2H2O4
9
38
92.84
mp-2230975
6.38214
9.591598
-1.59319
other
Mg1Co2Bi4O12
19
38
268.48
mp-1517657
7.075888
8.600576
-2.10486
other
K1Pr1Sn4O12
18
38
273.32
mp-1519411
7.686451
9.329887
-0.954552
other
Ca1Eu1Ti4O12
18
38
233.94
mp-1222663
10.5637
11.549894
3.252087
other
Li4Ca3Nb6O20
33
38
453.41
mp-1516679
7.733356
8.521274
-0.973183
other
Na1Nd1Hf4O12
18
38
267.6
mp-1220821
9.402501
8.247222
-0.545042
other
Na1Bi3Br2O4
10
38
196.09
mp-1518635
8.2939
10.104359
0.012311
other
Sm1Ti4Sn1O12
18
38
223.39
mp-2218463
12.744349
7.561938
-6.99545
other
Mg1Co2P2O8
13
38
143.23
mp-1218254
7.85933
10.565258
1.951832
other
Sr1La3Ni2O8
14
38
188.68
mp-1521174
5.850074
11.302579
-1.391423
other
Nd1Dy1Ni4O12
18
38
212.56
mp-2222809
7.441442
9.515355
-0.279789
other
Mg1Sc2Ag2O6
11
38
157.72
mp-2230276
10.398229
9.730757
0.519304
other
Na8Mg1Ti2O8
19
38
315.33
mp-1235129
11.007739
11.92084
-1.779055
other
Li1Ga4W2O12
19
38
205.22
mp-1518238
7.690201
9.293862
-1.12212
other
Sr1Ca1Ti4O12
18
38
235.34
mp-1522719
5.397199
10.076357
-2.60695
other
K1Gd1Fe4O12
18
38
197.65
mp-2240072
7.556709
12.312136
1.442335
other
Ba1Mg1Mn2O5
9
38
114.22
mp-1218420
7.574817
11.721241
2.15368
other
Sr3Dy1Mn2O8
14
38
186.16
mp-2217148
9.760106
12.000001
0.747947
other
Na2Mg1Mn2O4
9
38
184.95
mp-1218340
6.11632
10.993683
0.670273
other
Sr3La1Co2O8
14
38
185
mp-1516799
7.777801
9.439619
-0.651097
other
Ca1Nd1Ti4O12
18
38
231.49
mp-1518658
7.744879
8.849344
-0.011977
other
Eu1Zr4Sn1O12
18
38
264.67
mp-2219303
8.438464
10.818829
-3.305974
other
Mg1Zn2Cr2O8
13
38
158.11
mp-1517791
6.35208
12.114734
-1.250032
other
K1Eu1Mn4O12
18
38
200.68
mp-2231422
12.06032
11.189922
-1.424048
other
Mg1Ga4W2O12
19
38
244.86
mp-1522437
7.693906
8.501372
-0.913501
other
K1Nd1Hf4O12
18
38
275.86
mp-1215287
2.900277
-0.353919
-1.68657
other
Zr1Ti1Ni2H2
6
38
66.29
mp-1519303
7.896026
9.190376
-0.669371
other
Nd1Eu1Ti4O12
18
38
292.41
mp-758191
8.795319
3.596834
-7.676209
other
Li4Fe4C6O18
32
38
346.95
mp-2239959
-3.417221
-1.060582
-5.194067
other
Sr2Mg1Ti2S6
11
38
287.48
mp-1521101
10.080223
12.271517
-3.950167
other
K1Gd1V4O12
18
38
257.26
mp-2241359
11.943412
11.817184
1.856815
other
Mg1Ti4Cd2O10
17
38
223.63
mp-1519351
7.730772
8.527519
-1.010607
other
Na1Sm1Hf4O12
18
38
265.38
mp-1519466
10.267997
12.335401
-3.523373
other
Sr1Dy1V4O12
18
38
221.73
mp-1517545
7.770142
8.602861
-0.13062
other
Sm1Eu1Hf4O12
18
38
263.7
mp-2231089
11.948382
11.818675
-1.173345
other
Mg1Cr4W2O12
19
38
220.81
mp-1517120
7.627619
9.262345
-1.147612
other
K1Pr1Ti4O12
18
38
237.92
mp-1516448
10.440283
11.667942
3.424186
other
Sr1Eu1Nb4O12
18
38
255.73
mp-2232913
12.164964
12.646987
-2.35131
other
Mg1V4Zn1O10
16
38
214.55
mp-1520545
7.68266
8.493691
-0.947934
other
K1La1Hf4O12
18
38
276.78
mp-1518149
7.638125
9.284781
-1.181613
other
K1Tb1Ti4O12
18
38
233.34
mp-2224252
12.169502
12.667554
-2.369829
other
Mg1V4Zn1O10
16
38
213.81