mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
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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-1077830
-8.460527
-3.009568
4.39688
other
Pr2Ge1Rh3
6
166
112.55
mp-1219430
-8.339483
-1.451644
4.696543
other
Sc2Al1Co3
6
166
85.52
mp-1190963
-7.609364
1.057928
4.790298
other
Pr2Fe17N3
22
166
278.9
mp-9367
-2.737465
-2.651659
-5.726107
other
Rb1Er1S2
4
166
106.95
mp-756702
10.431077
7.982282
2.665844
other
Pr2Br2O2
6
166
147.33
mp-23435
-5.923826
-3.869656
-1.859219
other
Bi4Te2I2
8
166
326.18
mp-1223713
-5.984086
-3.484619
-2.279108
other
In1Te5Pb4
10
166
343.9
mp-569507
-4.332268
-3.960876
-3.864378
other
Tb1Tl1Se2
4
166
117.05
mp-1216063
-2.893761
-3.822899
-3.895164
other
Y4Ge1S3
8
166
178.93
mp-19338
12.907762
11.577582
-0.150895
other
Li1Mo1O2
4
166
35.53
mp-1220685
-4.353801
0.015512
3.010267
other
Nb2Mo2C3
7
166
85.62
mp-5634
8.592534
2.036745
2.486272
other
Nd2O2F2
6
166
89.36
mp-1226527
1.616715
1.540531
2.324102
other
Ce1U1N2
4
166
61.63
mp-578606
7.074391
11.298295
-0.626412
other
Na1Cu1O2
4
166
42.18
mp-27947
-5.705587
-3.5593
-2.072598
other
Sn1Sb2Te4
7
166
234.25
mp-1211917
8.483173
1.506743
0.741644
other
K3As1F6
10
166
269.87
mp-22936
1.185235
2.060493
-1.165323
other
Ca2N1Cl1
4
166
76.19
mp-1247748
-5.254759
0.163846
-5.401536
other
Nb1Cr3S8
12
166
226.69
mp-1103972
-4.092042
1.721212
3.055844
other
Ce4Co3B6
13
166
171.73
mp-1220689
-7.966926
-4.61723
4.840381
other
Nb1Zn3Ga3
7
166
117.53
mp-1218990
-3.327985
-4.062446
-3.111171
other
Sm1Y4Se5
10
166
242.11
mp-1095520
7.804159
10.658568
-0.825594
other
K2Pd4O6
12
166
199.45
mp-1201990
6.525155
6.047424
-3.837651
other
Re6Se8O18
32
166
762.27
mp-19415
10.752117
11.790199
0.362938
other
Er1Fe2O4
7
166
89
mp-1041362
5.945799
12.588111
-1.51248
other
Zn2Ni8O16
26
166
283.18
mp-1226815
9.881121
9.051744
3.306673
other
Ce4Zr1O10
15
166
197.83
mp-1224240
-2.884664
-0.080147
2.683441
other
Hf1U1C2
4
166
54.81
mp-570118
-4.61095
-3.638878
-3.928619
other
Yb1Tl1Se2
4
166
111.74
mp-505741
10.964299
12.285374
-3.295066
other
Ca3V2O8
13
166
166.88
mp-7958
9.471541
8.353819
2.890022
other
K1La1O2
4
166
74.13
mp-1215176
-3.28295
-3.781717
-3.021198
other
Zr1U1S2
4
166
78.11
mp-1280464
9.38487
7.520728
-4.024571
other
Co2H2O4
8
166
72.58
mp-1188975
-7.375232
1.079045
4.104924
other
La1Fe12B6
19
166
199.15
mp-1391777
12.754303
13.316628
-1.130225
other
V4Zn1O8
13
166
154.03
mp-1018031
10.056346
8.753946
0.36155
other
K1In1O2
4
166
58.23
mp-1226857
-7.843799
-1.666289
4.778376
other
Ce2Fe1Ru3
6
166
105
mp-1246960
0.649406
1.99501
2.30666
other
Hf1Mn1N2
4
166
39.38
mp-7569
8.374162
1.729988
-0.443243
other
K1As1F6
8
166
110.81
mp-27617
8.596695
2.104393
2.236359
other
Ce2Se1F4
7
166
113.65
mp-754038
10.755094
7.947203
2.601485
other
Y2I2O2
6
166
146.07
mp-754151
15.158461
12.44584
-0.953735
other
V2O2F2
6
166
61.73
mp-1043664
10.614137
9.608031
-0.024332
other
Ca1Sb4O8
13
166
229.33
mp-1104305
-4.039774
1.694716
3.145853
other
Pr4Fe3B6
13
166
194.4
mp-568730
-5.695476
-3.35392
-1.968311
other
Ge4Te7As2
13
166
363.17
mp-1191093
-7.75766
0.731894
4.811715
other
Gd2Fe17H3
22
166
259.18
mp-1222404
-3.894424
-1.779421
-5.361709
other
Li1Bi1S2
4
166
85.4
mp-4636
10.620159
9.15649
3.039721
other
Sc1Cu1O2
4
166
51.19
mp-554485
12.795121
11.892294
-0.551167
other
Li8Mo6O16
30
166
318.88
mp-1224324
-6.513062
-3.576039
4.978325
other
Hf2Al3Ag1
6
166
103.95
mp-1387289
-3.938941
-0.144005
-4.502027
other
Ti4Zn1S8
13
166
251.63
mp-30416
-5.975266
-6.235626
1.440302
other
Rb4Sn2Au7
13
166
396.44
mp-10779
-4.313027
-4.080462
-3.802009
other
Rb1Nd1Se2
4
166
131.64
mp-1218909
-5.962491
-3.482577
-2.267454
other
Sn1Te5Pb4
10
166
352.03
mp-1391883
-5.398948
-0.140328
-5.749565
other
Ca1Cr4S8
13
166
256.87
mp-1220806
-8.263662
-0.491462
2.461726
other
Nb5Ni41B12
58
166
587.18
mp-1219394
-7.835701
-2.400507
5.189236
other
Sm2Ge1Ru3
6
166
111.18
mp-1078578
-5.037436
-5.272733
0.325442
other
Na1Cd4As3
8
166
203.62
mp-18793
10.853054
13.660133
-0.143001
other
Li1Cr1O2
4
166
35.06
mp-22526
7.20004
14.493589
-1.400227
other
Li1Co1O2
4
166
31.73
mp-768949
7.637214
8.992076
0.53534
other
K1Eu1O2
4
166
67.78
mp-754537
9.73251
8.713309
3.278521
other
Li1Lu1O2
4
166
46.71
mp-15786
-2.683736
-2.638812
-5.708549
other
K1Ho1S2
4
166
102.14
mp-1076961
-8.461759
-2.848872
4.326226
other
Er2Ge1Rh3
6
166
103.8
mp-1222148
-7.478247
-0.880831
3.109849
other
Mn4Co11Ge5
20
166
234.96
mp-1228130
-1.76552
0.517353
2.604449
other
Al8B1C5
14
166
167.35
mp-754811
9.249028
15.08854
-0.052046
other
Li3Mn5O8
16
166
159.91
mp-1043668
10.578801
9.634048
-0.238232
other
Zn1Sb4O8
13
166
201.7
mp-1245650
0.870386
2.230466
1.733713
other
Ca1Ir1N2
4
166
47.18
mp-1245888
0.799656
2.257207
1.96735
other
Ca1Os1N2
4
166
46.96
mp-11601
9.859275
8.45048
3.234152
other
Na1Er1O2
4
166
53.47
mp-1219685
-2.53928
0.105755
2.646971
other
Pu1U1C2
4
166
63.32
mp-759678
10.891318
12.747594
1.913525
other
Li4Ti15O32
51
166
599.64
mp-1153924
7.10978
13.381651
-1.975698
other
Co4Ni2O8
14
166
135.31
mp-1007636
-2.721374
-2.636087
-5.71471
other
K1Lu1S2
4
166
98.27
mp-1216622
-7.685902
-4.265719
1.419538
other
Tl1As1Pd6
8
166
131.76
mp-1217074
2.900839
0.074495
-1.611782
other
Ti2H1C1
4
166
39.82
mp-753927
15.678776
9.845408
4.985773
other
Mg16Mn6O22
44
166
444.49
mp-1103675
8.449729
5.491758
-3.760373
other
H8N2F4
14
166
124.84
mp-578605
8.501321
15.450148
-0.213879
other
Na1Mn1O2
4
166
45.12
mp-21863
-6.750309
-4.151114
0.006558
other
Pd3Pb2S2
7
166
146.39
mp-541912
1.974764
1.959951
2.445169
other
Zr2Br2N2
6
166
117.38
mp-10224
-4.84864
-0.189498
-5.263682
other
Na1V1S2
4
166
72.46
mp-1105065
-4.144975
1.70434
3.246184
other
Dy4Fe3B6
13
166
179
mp-9363
-2.805801
-2.564825
-5.705413
other
Rb1Nd1S2
4
166
118.2
mp-568529
-9.065689
-1.424705
2.775237
other
Pr1Mg2Ni9
12
166
159.81
mp-1215182
-3.053564
-0.113043
2.76526
other
Zr1Ti1C2
4
166
46.83
mp-20162
-4.030185
-1.430131
-5.721109
other
In1Ag1S2
4
166
81.8
mp-1077494
8.3524
8.251745
-2.760141
other
Na1U1O4
6
166
82.77
mp-1217169
-3.901221
-0.234504
2.966339
other
Ti4Cr1C5
10
166
97.78
mp-1216065
-7.264266
-2.371395
5.88726
other
Y2Co3Si1
6
166
92.26
mp-1224191
-4.19142
0.061953
2.918225
other
Hf1W1C2
4
166
45.54
mp-1188794
-8.165702
-0.194334
4.527708
other
Y2Mn5Co12
19
166
238.35
mp-9378
-4.819169
-5.294903
0.344888
other
Na1Sn2As2
5
166
129.9
mp-1226854
9.627858
9.029465
2.687216
other
Ce4Sn1O10
15
166
198.44
mp-1215636
8.205366
12.155137
-0.813665
other
Zn1Ni4O5
10
166
95.68
mp-999447
-5.960394
-3.788998
-1.753852
other
Na1Sm1Te2
4
166
131.15
mp-24051
2.066021
-0.046465
-1.880492
other
Er2H2Cl2
6
166
109.15
mp-7478
9.718668
8.421251
2.900909
other
Rb1Tm1O2
4
166
65.44
mp-996981
7.650998
9.917786
-1.347942
other
Tl1Au1O2
4
166
65.42
mp-753507
6.590602
13.439814
-2.423342
other
Cr1Co3O8
12
166
138.17