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-1180973
17.655403
9.88472
7.303177
other
Mg8O8
16
166
155.22
mp-571334
-8.766809
-0.380221
4.935304
other
Pr3Co9
12
166
188.02
mp-27929
-0.055768
0.765699
-3.13665
other
La2Cl2
4
166
156.53
mp-1217896
-5.82702
-2.349758
3.753126
other
Ta1Pd1
2
166
33.43
mp-510322
-8.459987
-0.60088
4.677064
other
U3Co15
18
166
234.72
mp-1217441
0.231726
2.112041
1.992747
other
Tc4N3
7
166
73.7
mp-27507
0.7105
1.163554
-3.449505
other
Sc2Cl2
4
166
104.84
mp-569100
-8.827959
-2.508317
3.902693
other
La3Rh9
12
166
217.32
mp-1217106
-4.074489
-0.481855
3.10255
other
Ti2C1
3
166
39.58
mp-1188496
-8.770429
-0.238987
4.852467
other
Dy4Co14
18
166
255.77
mp-1215548
-5.751936
-7.403412
4.688242
other
Yb4Y1
5
166
190.23
mp-1215529
-9.616236
-4.527304
3.724806
other
Zn1Cu3
4
166
47.8
mp-1217090
-3.923052
-0.363291
3.003968
other
Ti8C5
13
166
161.16
mp-27771
-0.792642
0.811366
-3.326209
other
Nb6Br16
22
166
606.55
mp-27924
-0.084838
0.612365
-2.964502
other
Tb2Br2
4
166
127.79
mp-1191306
-8.859532
-0.26517
4.810956
other
Sm5Co19
24
166
345.14
mp-1226076
-8.773042
-0.370414
3.498627
other
Co1Ni1
2
166
21.19
mp-27440
0.579186
1.094955
-3.092426
other
Zr2Cl2
4
166
93.09
mp-1224827
-8.01862
0.314502
3.583926
other
Fe3Ni1
4
166
45
mp-1221545
-7.67272
-2.024579
2.986912
other
Mn1Pt1
2
166
26.99
mp-1189067
-8.772008
-0.039963
4.461193
other
Tb2Co17
19
166
242.78
mp-20050
-3.304697
-3.882951
0.557652
other
In2P6
8
166
163.37
mp-570369
-7.534205
-5.016179
5.476314
other
Ce32Ru18
50
166
1,187.13
mp-1223654
-6.444947
-6.859638
2.358013
other
In1Pb1
2
166
58.28
mp-1802
-4.102735
-0.094535
-3.652619
other
Nb1S2
3
166
63.17
mp-1018141
-1.181249
0.575573
1.295007
other
Ba1C2
3
166
59.06
mp-1220069
-6.27652
-6.409974
6.534644
other
Nd1Th1
2
166
66.68
mp-23290
1.717642
2.640695
-4.661821
other
Pt6Cl12
18
166
459.55
mp-1217395
-2.321372
0.475564
2.413508
other
Th4C3
7
166
154.24
mp-7250
-6.541765
-1.235156
3.892763
other
Nb6Co7
13
166
181.26
mp-1109
-5.683045
-5.793518
4.775822
other
Sr5Al9
14
166
352.4
mp-7096
-5.609581
-0.78234
-3.928495
other
Fe3S4
7
166
107.59
mp-1227339
-5.889372
-3.840192
-1.760364
other
Bi1Te1
2
166
67.45
mp-1223702
-8.391486
-4.482884
2.05617
other
In1Pd3
4
166
68.38
mp-669332
-6.75137
-3.455275
1.217943
other
Mn12Bi4
16
166
311.56
mp-27607
-4.582053
-3.196546
-3.574069
other
Bi4Se3
7
166
220.79
mp-1221469
-6.109531
-0.645242
3.401618
other
Mo4Ir1
5
166
78.92
mp-1226338
-8.275703
-0.884846
3.062078
other
Cr1Ni3
4
166
44.35
mp-542615
-4.657806
-3.101689
-3.587166
other
Bi3Se4
7
166
211.15
mp-1061635
-5.59456
-2.999843
3.776636
other
Mg1Nb2
3
166
57.46
mp-1223860
-7.570322
-1.480143
3.946393
other
Ir1Ru1
2
166
27.86
mp-25349
12.963103
11.126456
-0.949037
other
Mo1O2
3
166
39.2
mp-25424
8.071519
14.271558
-1.668799
other
Mn1O2
3
166
32.4
mp-1220071
-7.851436
-1.378968
3.335144
other
Ni1Ir1
2
166
25.24
mp-1080111
-4.944217
1.013949
3.101888
other
B6Mo2
8
166
73.22
mp-25236
5.358274
11.120715
-2.510207
other
Fe1O2
3
166
38.14
mp-1105544
-8.832208
-0.080487
4.468874
other
Sm2Co17
19
166
246.74
mp-850016
-5.399535
-0.692215
-4.314068
other
Fe6S8
14
166
215.61
mp-20132
-7.475344
-7.378219
1.913312
other
In1Hg1
2
166
51.3
mp-1013526
-4.750985
0.3449
-4.633862
other
V1S2
3
166
56.82
mp-1424931
-4.734663
0.391481
-4.519726
other
V1S2
3
166
65.87
mp-1226726
-7.943933
-6.757107
2.137933
other
Cd1Ag1
2
166
37.82
mp-1215265
-6.191542
-3.964002
3.898796
other
Zr1In1
2
166
46.46
mp-1220954
6.729289
6.023403
-3.685238
other
Na1O2
3
166
37.14
mp-1080337
-4.237122
-4.424417
-3.399736
other
Ce1Se2
3
166
100.51
mp-1426
-7.754378
1.039107
5.108433
other
Sm2Fe17
19
166
261.28
mp-1226027
-7.767212
-1.094755
3.598732
other
Co1Ir1
2
166
25.3
mp-1220274
-7.042941
-6.91843
7.342292
other
Nd2Y1
3
166
104.47
mp-1189465
-8.758886
-0.272897
4.858905
other
Tm4Co14
18
166
253.1
mp-25375
13.073055
10.718226
-0.248204
other
W1O2
3
166
42.7
mp-672671
-0.92383
2.35668
-3.120976
other
Pb3I6
9
166
416.71
mp-8101
0.595289
2.340276
2.151119
other
W1N2
3
166
29.95
mp-1058315
-3.606911
-4.588948
0.860165
other
K1P1
2
166
75.92
mp-30714
-9.468344
-6.021607
4.219038
other
Tm2Zn17
19
166
290.2
mp-541837
-4.66467
-3.05336
-3.565816
other
Bi2Se3
5
166
151.78
mp-1094310
-6.126943
-10.761094
5.731562
other
Sr2Mg4
6
166
188.27
mp-1217267
-6.644007
-6.64181
4.878683
other
Th1Hg1
2
166
57.34
mp-558110
-3.974604
-0.118557
-4.379921
other
Ti1S2
3
166
86.52
mp-1221576
-8.495118
-3.983733
2.160832
other
Mn1Pd3
4
166
61.55
mp-1189382
-8.88592
-0.422141
4.93915
original
La4Co14
18
166
271.36
mp-1226736
-7.898159
-6.713065
2.033721
other
Cd1Ag3
4
166
72.43
mp-1591
-1.710816
0.409171
2.422325
other
Al4C3
7
166
79.9
mp-1039275
-6.067083
-7.237005
3.717101
other
Ca1Zn1
2
166
55.34
mp-22003
4.881756
3.051039
-3.356167
other
Na1N3
4
166
56.7
mp-542437
-9.380779
-6.048004
4.185707
other
Gd2Zn17
19
166
296.53
mp-356
-8.821444
-0.077349
4.487357
other
Nd2Co17
19
166
245.05
mp-1237667
6.54682
8.738101
-2.097972
other
Na1O1
2
166
25.13
mp-7542
-3.39285
-3.806806
0.522061
other
Ge2P6
8
166
146.5
mp-2876153
-7.41067
-1.162776
5.524837
other
Dy2Mn4
6
166
100.86
mp-1106140
-8.753684
-0.05919
4.448524
other
Y2Co17
19
166
242.67
mp-1223665
-7.846947
-2.08084
3.177137
other
Ir1Pt1
2
166
30.22
mp-1073501
-2.590801
-5.447829
6.953137
other
Mg1Si2
3
166
57.99
mp-30964
-9.439304
-6.055725
4.236703
other
Dy2Zn17
19
166
293.09
mp-1189779
-9.2562
-1.489121
2.825714
other
Pr4Ni14
18
166
265.46
mp-1216391
-8.434346
-4.89465
2.569872
other
V1Au1
2
166
31.77
mp-755671
8.073877
14.258732
-1.669727
other
Mn2O4
6
166
65.06
mp-755523
-4.006461
-0.084252
-3.665821
other
Ta2S4
6
166
125.15
mp-1095461
-8.792683
-0.35106
4.893044
other
Nd3Co9
12
166
185.15
mp-574189
-0.932543
2.362902
-3.090569
other
Pb4I8
12
166
562.01
mp-1219711
-6.400569
-1.051608
3.540884
other
Pt1W1
2
166
31.6
mp-1220205
-2.803304
-3.803389
-3.483685
other
Nd5S4
9
166
233.05
mp-1216546
-7.490491
-6.339247
6.549553
other
Tm2C1
3
166
64.25
mp-27587
-6.460854
-7.016139
3.055994
other
Li8Pb3
11
166
206.19
mp-1223797
-6.463451
-6.250379
6.479437
other
Ho1Th1
2
166
62.87
mp-568437
-9.48052
-5.893626
4.062374
other
Yb2Zn17
19
166
312.08
mp-1189920
-9.215462
-1.384078
2.89093
other
Th4Ni14
18
166
266.16
mp-21293
-6.678116
-7.065603
3.418998
other
Li3In2
5
166
94.25
mp-1080274
-4.225239
-4.55221
-3.376866
other
Ce1Se2
3
166
249.31
mp-25234
5.951564
13.3907
-2.563322
other
Co2O4
6
166
60.89
mp-1226316
-7.648172
-1.533415
3.675266
other
Cr1Ir3
4
166
55.85