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-2724101
10.046994
11.312132
2.335456
other
Li2Hf1O3
6
65
64.82
mp-1273223
8.032397
11.5213
2.19912
other
La4Mn4O12
20
65
245.63
mp-1225293
-8.442133
-0.61178
4.762705
other
Dy1Al1Co4
6
65
86.2
mp-12386
-4.890115
-3.819824
5.784914
other
Er2Si6Ni2
10
65
159.22
mp-1226750
-8.731056
-2.185346
3.230965
other
Ce1Ga2Ni3
6
65
88.99
mp-1100902
11.8755
12.344136
-1.354418
other
V4Sb4O16
24
65
275.78
mp-2276800
11.674636
9.367479
1.064695
other
U1Mn1O4
6
65
81.53
mp-1068243
-8.344442
-5.047259
5.521553
other
Lu2In1Ni2
5
65
94.62
mp-1226547
-3.790782
1.864133
2.957668
other
Ce2Th2B16
20
65
213.8
mp-1201881
-8.248585
-5.007045
4.588495
other
Nd8In16Ni14
38
65
772.13
mp-1206382
-7.962801
-5.390899
5.45654
other
Tm2Ni2Pb1
5
65
99.34
mp-1215928
-8.39634
-0.538513
4.773211
other
Y1Co4Ge1
6
65
84.57
mp-1213171
-4.023226
-2.696921
-3.422102
other
K3Yb1Se6
10
65
7,540.36
mp-1173109
12.331593
11.187806
2.099869
other
Ta1Ti1O4
6
65
67.56
mp-1304764
9.839811
14.928037
-1.369136
other
Mn6O8F4
18
65
200.06
mp-761415
8.100393
12.16714
-0.896846
other
Cu2Ni6O8
16
65
152.52
mp-1226588
-9.020308
-1.869169
2.991007
other
Ce1Ga1Ni4
6
65
83.73
mp-1212644
7.112363
7.854943
-2.130209
other
Na3Tl1O6
10
65
2,563.87
mp-1222896
-9.225299
-2.013594
3.306271
other
La1Ni3Rh2
6
65
91.6
mp-756496
8.185725
10.355972
2.411812
other
La16Mn4O32
52
65
740.38
mp-5360
13.009444
10.315207
2.288009
other
Ba3Nb16O23
42
65
558.17
mp-1192444
-8.270621
-6.305428
5.689339
other
Tb11In9Pd4
24
65
591.3
mp-1094047
12.031259
9.978958
2.333276
other
Sr2Ti2O5
9
65
122.41
mp-1025423
-8.071556
-4.550149
5.316669
other
Sm2Ga4Ni2
8
65
147.29
mp-570272
-7.981219
-7.73313
5.980743
other
Tb2Mg3Ni2
7
65
149.4
mp-1289654
11.568929
11.676251
-0.854975
other
Cr4Re4O16
24
65
260.67
mp-1207379
-3.294204
-1.671813
-4.218971
other
Y3Tl1S6
10
65
5,691.12
mp-1216284
12.380011
11.77214
-1.021151
other
V4Re4O16
24
65
264.31
mp-1217353
-6.313855
-5.611485
5.842764
other
Th6Si2Ge2
10
65
261.39
mp-755209
12.844254
-0.959825
0.604822
other
Mn4O4F4
12
65
139.61
mp-28147
-8.713735
-0.786261
2.544265
other
Er4Ni13C4
21
65
261.7
mp-1079596
-7.314006
-5.361792
3.361296
other
Er2Ni1Sn6
9
65
213.46
mp-29009
-0.30107
1.243089
-4.450337
other
Li2Mg1Br4
7
65
164.1
mp-1218338
-9.451922
-5.024875
3.912079
other
Sr1Cu4Ag1
6
65
103.73
mp-755834
7.907385
9.854425
-1.241729
other
Ag2Sn2O6
10
65
134.59
mp-1213155
-2.550094
0.377277
2.460035
other
Er5Re2C7
14
65
192.85
mp-1207373
-4.438285
-4.726681
-1.070491
other
Na1Sm3Te6
10
65
8,227.53
mp-754378
13.211493
11.713018
0.009666
other
Li2V6O8
16
65
154.94
mp-1207284
-3.744176
-2.455869
-3.42222
other
Ag1Bi3Se6
10
65
5,198.66
mp-1218305
-1.076625
0.522562
1.07187
other
Sr1Eu1C4
6
65
110.38
mp-1067986
-8.341934
-5.095661
5.576395
other
Er2In1Ni2
5
65
97.79
mp-21059
5.713109
11.080714
-0.150317
other
Sr4Fe4O11
19
65
229.54
mp-1103584
-7.288074
-5.638481
3.419411
other
Pr3Ni2Sn7
12
65
355.49
mp-28702
-2.803876
0.98948
2.697354
other
Gd2B3C2
7
65
87.2
mp-1212090
-7.421114
-5.144913
3.12886
original
Ho2Ni2Sn8
12
65
283.14
mp-985562
-8.098582
-6.46578
5.875948
other
Nd11In9Ni4
24
65
618.36
mp-13073
-7.452718
-3.561622
4.911056
original
Pr2Ni2Ge6
10
65
189.23
mp-755594
10.45055
11.228008
-1.865411
other
Zn1Re1O4
6
65
68.51
mp-755602
8.53916
13.844715
-0.940044
other
Li2Cr1O3
6
65
55.21
mp-1226676
-9.117501
-4.798975
4.348876
other
Ce1Ga2Cu3
6
65
96.74
mp-29674
-7.603753
-1.075902
4.338622
other
Al2B2Ru3
7
65
79.71
mp-1216722
12.399035
11.901929
-1.232755
other
Ti1Mo1O4
6
65
68.7
mp-1101769
-4.111231
1.343432
3.066996
other
Th2Re2B8
12
65
134.66
mp-1212766
6.798079
7.634542
-2.085993
other
K1Tl3O6
10
65
2,823.08
mp-1103253
-4.178353
1.483795
3.061924
other
U2B8Ru2
12
65
122.52
mp-1207344
-3.29695
-1.411455
-4.28493
other
Yb3Tl1S6
10
65
6,125.7
mp-1281591
5.849237
11.351021
-0.537711
other
Sr4Ni4O12
20
65
235.07
mp-1278441
6.808133
11.33603
1.038419
other
La4Ni4O12
20
65
230.37
mp-1278956
12.362937
11.73952
-1.118144
other
V2Re2O8
12
65
131.71
mp-1222943
-2.173893
0.478456
2.354584
other
La1Ce1C4
6
65
97.28
mp-759859
8.703274
12.480133
-0.799356
other
Mn1Ni3O4
8
65
79.08
mp-752785
10.858315
8.945854
2.251294
other
Sm4U4O17
25
65
319.15
mp-867844
8.323097
0.554487
0.423718
other
Rb1Ag1F3
5
65
77.93
mp-754470
6.995547
12.696138
-1.612702
other
Li12Cr4O16
32
65
274.8
mp-1070857
-8.677713
-1.694913
2.897937
other
Nd1Si1Ni4
6
65
82.74
mp-1079044
-7.488309
-3.52325
4.800154
other
Tm2Ni2Ge6
10
65
174.42
mp-1223006
-8.360827
-6.72322
3.729318
other
La1Al2Ag3
6
65
120.71
mp-18971
8.022276
11.131489
-0.728051
other
Mn1Pt3O6
10
65
114.63
mp-1223899
-9.028863
-1.678922
2.941356
other
Ho1Al1Ni4
6
65
81.96
mp-616210
-8.194403
-5.459784
4.971234
other
Pr5In11Ni6
22
65
456.67
mp-1177082
10.096161
0.341963
0.8001
other
Li5Mn1F8
14
65
147.34
mp-1191870
-8.761068
-0.809613
2.552943
other
Y4Ni13C4
21
65
273.48
mp-1105121
12.701243
9.735316
2.051707
other
Ti8Bi1O7
16
65
202.11
mp-4960
-6.775715
-4.679235
5.254981
other
Li1Pr2Ge6
9
65
192.96
mp-754478
10.772261
9.889618
3.762247
other
Hf1Zr1O4
6
65
78.02
mp-1078107
-9.172601
-1.113619
3.040442
other
Ca1Ni5H1
7
65
85.2
mp-1222898
-9.546051
-4.702294
4.332821
other
La1Al1Cu4
6
65
97.02
mp-22967
-0.435539
1.308431
-4.492459
other
Li2Fe1Br4
7
65
165.2
mp-1079171
-7.491865
-3.612606
4.874107
other
Nd2Ni2Ge6
10
65
186.71
mp-1206788
-8.290226
-5.179629
5.736819
other
Tb2Cd1Ni2
5
65
101.17
mp-759858
9.942179
2.631231
2.078829
other
Li2V1F4
7
65
80.85
mp-755785
9.968764
14.877409
-1.490671
other
Mn6O8F4
18
65
196.81
mp-5446
7.217909
8.565278
-1.19017
other
Li2Pr1O3
6
65
84.19
mp-760401
10.961435
11.912178
2.682276
other
Nb3O7F1
11
65
164.04
mp-754310
11.109062
0.870371
-0.049641
other
Fe5O4F8
17
65
195.05
mp-27861
-5.441354
-1.16984
4.083172
other
Ce1Re4Si2
7
65
118.14
mp-776651
10.587811
12.803761
-0.226762
other
Mn3Ni1O4
8
65
87.2
mp-31433
-7.404679
-5.21351
3.045608
other
Lu2Ni2Sn8
12
65
278.46
mp-1022697
-7.865589
-9.679661
6.878415
other
Y1Hf1Mg6
8
65
186.88
mp-765401
14.313344
12.959183
-1.301196
other
V8O12F4
24
65
261.74
mp-1071627
-8.747458
-1.637645
2.893357
other
La1Si1Ni4
6
65
84.78
mp-643273
2.898281
-0.369437
-2.014754
other
Na1H2Pd3
6
65
68.56
mp-776687
9.95216
0.575479
0.999932
other
Li5Fe1F8
14
65
148.08
mp-754001
14.764648
12.328663
-0.870105
other
V2O2F2
6
65
69.76
mp-1206119
2.646045
-0.549974
-1.45636
other
La1Co5H4
10
65
98.2
mp-557680
11.099183
11.87856
2.73826
other
Nb2Ag2O6
10
65
136.91
mp-1226558
-5.224874
0.253423
3.237081
other
Co4Re10B8
22
65
234.47
mp-11356
-7.429674
-5.254366
3.543518
other
La3Co2Sn7
12
65
295.77
mp-20447
-7.378415
-3.113575
4.606677
other
U3Co2Ge7
12
65
215.73
mp-1173090
-2.672372
0.253959
2.577504
other
U4Be2C5
11
65
155.1