mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
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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-1101986
-9.209639
-1.448584
2.753854
other
Gd3Ni9
12
166
173.02
mp-25433
10.973387
12.592135
1.915944
other
Ti1O2
3
166
37.89
mp-1216519
-6.980316
-7.496413
1.794727
other
Tl1Hg1
2
166
56.64
mp-541885
-6.09264
-3.411351
-2.080407
other
In3Te4
7
166
225.92
mp-1221235
-4.031353
-4.882895
5.650857
other
Na3Si34
37
166
787.28
mp-1217413
-6.114717
-0.976808
3.514854
other
Tc1Pt1
2
166
30.07
mp-1192051
-9.318563
-1.440994
2.850031
other
Nd5Ni19
24
166
345.81
mp-1221111
-6.506696
-0.849616
4.084205
other
Nb13Fe13
26
166
376.53
mp-1219463
-5.539018
-3.693237
-1.978412
other
Sb1Te1
2
166
61.94
mp-12531
-5.02601
-5.304965
0.553897
other
Sn4As3
7
166
178.23
mp-1218401
-4.128241
-6.222774
3.048946
other
Sr1C2
3
166
54.3
mp-1223677
-7.763276
-1.601954
3.815135
other
Ir4Os1
5
166
72.55
mp-1227459
-6.372206
-6.888353
1.964965
other
Bi1Pb4
5
166
159.7
mp-1238792
7.725206
3.04323
-1.534721
other
O2F2
4
166
56.59
mp-1226166
-8.360762
-3.886508
2.544761
other
Cr1Pd1
2
166
27.23
mp-1219653
-5.604581
-4.59499
3.558755
other
Pu1Zr1
2
166
48.92
mp-1221687
-8.787553
-5.452705
2.265203
other
Mn1Au3
4
166
70.8
mp-1102065
-6.928453
-4.313293
6.449477
other
Ho3Al9
12
166
227.82
mp-1105377
-6.263086
-0.426218
3.865859
other
Co7W6
13
166
309.2
mp-1225764
-5.837599
-7.057141
3.709149
other
Eu3Pd1
4
166
151.16
mp-7988
8.373223
8.573514
-0.051201
other
Cs2O1
3
166
102.22
mp-1224002
-8.028626
-3.036732
2.470918
other
Hg1Pt4
5
166
83.39
mp-1103939
-5.572286
-1.662954
4.699016
other
Mn6Si7
13
166
161.53
mp-1421109
9.203919
13.551433
-1.820114
other
Cr1O2
3
166
52.65
mp-1014995
0.694546
3.082278
1.545082
other
Cr12N24
36
166
1,010.9
mp-1221711
-8.734092
-5.512265
2.208208
other
Mn1Au4
5
166
88.71
mp-1221588
-7.914449
-0.953494
3.273118
other
Mn1Ni1
2
166
21.82
mp-28395
-3.208132
1.823721
2.69832
other
B12P2
14
166
122.07
mp-1218937
-8.214581
-4.504227
1.979378
other
Sn1Pd3
4
166
70.02
mp-1217443
-6.825076
-3.32323
-0.179222
other
Te6Pd21
27
166
510.16
mp-1183961
-5.054451
-6.659853
3.63063
other
Cs1Nd1
2
166
101.96
mp-1216317
-8.107992
-0.99768
2.97409
other
V1Ni3
4
166
44.87
mp-568289
-1.19778
2.839584
-3.00274
other
Cd3I6
9
166
358.05
mp-1221725
-7.373937
-0.75298
4.18934
other
Mn4Cu1
5
166
55.66
mp-1186890
-4.023168
-6.931158
1.984337
other
Rb3Pu1
4
166
252.96
mp-1226738
-8.348415
-4.515136
2.050969
other
Cd1Pd3
4
166
66.32
mp-1038779
-5.816743
-7.665818
5.622039
other
Mg1Al1
2
166
38.73
mp-1190236
-8.584462
-2.635118
4.023435
other
La4Ir14
18
166
336.38
mp-1192757
-9.232431
-5.397974
3.259327
other
Cu14Hg12
26
166
436.61
mp-17909
15.689318
5.621359
0.404074
other
Si12O24
36
166
791.79
mp-28233
1.68254
2.485462
-5.373258
other
Mn1Cl2
3
166
71.61
mp-1216530
-6.244092
-7.261212
2.074746
other
Tl1Pb1
2
166
61.19
mp-1190097
-8.517838
-2.657702
4.090423
other
Ce4Ir14
18
166
324.44
mp-685079
0.524462
1.416869
2.893141
other
Nb32N27
59
166
696.74
mp-1224962
-7.77451
-2.182115
2.859215
other
Fe1Au1
2
166
30.86
mp-2699
-3.955262
-5.186411
5.688648
other
Ca2Si4
6
166
131.18
mp-1219217
-8.177613
-4.225924
2.126267
other
Si1Pd4
5
166
75.32
mp-692
-7.238848
-6.382844
6.473634
other
Tb2C1
3
166
69.9
mp-1094617
-6.619451
-9.194712
4.767686
other
Mg1Ga1
2
166
38.26
mp-1224766
-7.745173
-0.071485
3.509276
other
Fe3Pt1
4
166
52.9
mp-1226395
-6.324186
-0.195121
3.418125
other
Co13Mo13
26
166
338.81
mp-1221851
-7.192608
-0.917326
3.961614
other
Mn3Ga1
4
166
48.51
mp-1038887
-7.097702
-6.101208
5.491206
other
Ce1Mg1
2
166
49.27
mp-1062939
6.029768
13.439982
-2.580276
other
Co4O8
12
166
132.89
mp-1095001
-5.973664
-7.250106
3.705512
other
Ca1Zn1
2
166
57.12
mp-843
-7.741796
0.896134
5.056781
other
Th2Fe17
19
166
267.18
mp-1226024
-8.008666
-0.510494
3.819398
other
Co4Ru1
5
166
58.7
mp-1225687
-8.941785
-1.602219
2.843034
other
Cu1Ni1
2
166
21.65
mp-30574
-6.224955
-6.032223
3.690442
other
Cs2Ga14
16
166
368.71
mp-1473
-6.409617
0.124606
3.631269
other
Fe7W6
13
166
170.41
mp-411
-8.751183
-0.324644
4.901454
other
Er3Co9
12
166
171.09
mp-1221488
-5.029543
0.033307
3.083485
other
Mo4C3
7
166
80.69
mp-1106237
-6.969236
-4.47207
6.491038
other
Dy5Al15
20
166
380.5
mp-30711
-9.351323
-6.065695
4.24738
other
Nd2Zn17
19
166
302.27
mp-715558
9.794777
13.110087
-0.813452
other
Fe12O16
28
166
313.05
mp-1072880
-7.391171
-6.82305
7.01677
other
Nd4Fe2
6
166
159.41
mp-571095
-5.964005
-6.581043
3.490577
other
Na42Ga78
120
166
2,578.98
mp-1216400
-7.726149
-0.259105
3.651343
other
V1Co4
5
166
56.47
mp-1102049
-5.196067
-1.486807
4.691493
other
Ta3Be9
12
166
124.9
mp-973850
-7.693051
-4.595934
5.625578
other
Ho5Ga15
20
166
373.41
mp-1102445
-9.222419
-1.462709
2.758315
other
Pr3Ni9
12
166
179.09
mp-1038972
-7.04015
-7.976413
3.029128
other
Mg1Cd1
2
166
43.39
mp-1220799
-6.35532
-1.916353
3.413126
other
Nb13Ni13
26
166
370.08
mp-1229032
-8.054152
-2.927959
2.521454
other
Ag1Pt4
5
166
78.08
mp-1220270
-7.16845
-6.90301
7.336596
other
Nd2Tm1
3
166
101.04
mp-30963
-9.448118
-5.931933
4.196898
other
Er2Zn17
19
166
290.98
mp-1106216
-8.752436
-0.062314
4.436794
other
Ho2Co17
19
166
239.73
mp-1103826
-6.295004
-0.946821
4.212159
other
Ta7Fe6
13
166
190.48
mp-999259
-5.787487
-0.335132
3.00134
other
Ru2C2
4
166
42.23
mp-1219741
-6.426417
-6.433071
6.701244
other
Pr1Th1
2
166
67.63
mp-978496
-3.199969
1.69628
2.759048
other
Si3B12
15
166
139.19
mp-27919
-3.94455
-0.324422
3.002366
other
Ti8C5
13
166
160.89
mp-862656
-6.973494
-4.272175
6.443929
other
Er5Al15
20
166
373.05
mp-8035
-3.138649
1.473945
2.907923
other
B12C3
15
166
222.03
mp-2042
-9.346054
-1.39528
2.884093
other
Ho3Ni9
12
166
166.47
mp-755413
9.234375
8.991307
0.1377
other
Na4O2
6
166
99
mp-1221425
-7.54411
-2.010965
2.688236
other
Mo1Pt3
4
166
62.66
mp-559605
15.332545
5.562469
0.012326
other
Si6O12
18
166
307.14
mp-723203
7.318647
2.684508
-1.871338
other
N2F2
4
166
67.59
mp-542458
-9.320698
-5.870749
4.298148
other
Ce2Zn17
19
166
302.96
mp-1426806
11.070798
12.655398
1.910733
other
Ti1O2
3
166
54.22
mp-1226492
-5.78898
-4.738271
4.030574
other
Ce1Pu1
2
166
49.64
mp-1095561
-9.317679
-1.460542
2.80561
other
Nd3Ni9
12
166
176.59
mp-13862
-3.52685
1.682448
2.930187
other
B13P2
15
166
161.26
mp-1102187
-7.768881
0.271912
5.785119
other
Sm3Fe9
12
166
190.15
mp-1226001
-8.101752
-2.654023
2.428268
other
Co1Pd1
2
166
26.95
mp-30634
-7.809462
0.291965
5.755226
other
Ho3Fe9
12
166
185.77
mp-1220793
-4.069176
-4.874834
5.673476
other
Na5Si34
39
166
792.63
mp-581734
-7.695948
1.010637
5.046878
other
Gd2Fe17
19
166
261.88
mp-1060787
-3.603885
-4.536705
0.86117
other
Rb1P1
2
166
86.86