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-1220076
-8.370624
-1.531659
2.55022
other
Ni4Ge1
5
166
58.35
mp-1188550
-8.668756
-0.483905
4.809772
other
Ce4Co14
18
166
255.15
mp-1205432
-8.788875
-0.271275
4.85675
other
Tb4Co14
18
166
256.63
mp-1220074
-7.229782
-0.596999
3.192506
other
Ni3Mo1
4
166
48.8
mp-1219940
-8.112719
-3.785243
2.34701
other
Pd4W1
5
166
75.45
mp-1221422
-6.190637
-1.241067
3.511858
other
Mo1Pd1
2
166
30.98
mp-1216471
-4.813973
-0.023549
2.929341
other
V4C3
7
166
69.53
mp-1224832
-9.418064
-4.557238
3.823352
other
Ga1Cu4
5
166
63.34
mp-1222127
-7.675236
-9.594355
6.39314
other
Mg4Sc1
5
166
117.13
mp-568012
-9.440182
-6.00269
4.250442
other
Tb2Zn17
19
166
294.18
mp-528
-9.231429
-5.748169
4.263933
other
U2Zn17
19
166
296.9
mp-1220081
-8.18733
-1.244941
3.207789
other
Ni4Ru1
5
166
57.42
mp-1215899
-6.30665
-6.296981
6.412744
other
Y1Th1
2
166
64.5
mp-25302
9.198579
13.474594
-1.978675
other
Cr1O2
3
166
36.84
mp-1216405
-7.583336
-0.30691
3.631817
other
V1Co3
4
166
45.62
mp-1103188
-5.311882
-3.657502
3.257103
other
Zr9Te3
12
166
303.24
mp-1094318
-4.946959
-7.494689
3.702283
other
Sr1Mg1
2
166
79.75
mp-27638
-0.919239
2.454794
-3.277766
other
Ni1I2
3
166
94.93
mp-1226232
-7.37658
-0.822824
3.383836
other
Cr1Ni1
2
166
22.25
mp-1105734
-8.735632
-0.268457
4.834662
other
Ho4Co14
18
166
251.6
mp-30715
-9.445917
-5.980934
4.145347
other
Lu2Zn17
19
166
288.71
mp-1215556
-5.551422
-7.329723
4.064755
other
Yb1Eu1
2
166
83.85
mp-1190297
-7.784007
-4.670714
5.62499
other
Dy4Ga12
16
166
302.43
mp-1188546
-8.585101
-0.382474
4.757257
other
Th4Co14
18
166
265.1
mp-1225203
-0.221387
3.548964
2.304315
other
Fe4N1
5
166
48.58
mp-672314
-6.922739
-10.21337
4.937069
other
Mg12In4
16
166
412.17
mp-1226010
-7.93239
-0.853441
3.52017
other
Co4Ge1
5
166
58.85
mp-1102848
-8.608599
-2.593719
4.036709
other
La3Ir9
12
166
223.21
mp-730208
-4.187703
-6.815808
1.678825
other
Rb2Pd1
3
166
140.56
mp-1223768
-8.729204
-1.699901
2.606134
other
In1Ni3
4
166
54.96
mp-1228947
-7.79769
-6.584409
2.287427
other
Al1Ag4
5
166
87.79
mp-1223819
-7.864322
-6.668756
2.008678
other
In1Ag4
5
166
96.31
mp-568722
-0.375404
1.189607
-4.31795
other
Cd2Br4
6
166
184.98
mp-1221525
-0.150366
2.093725
2.411677
other
Mo2N1
3
166
35.97
mp-2647067
3.828129
-0.527028
-2.554603
other
La1H20
21
166
202.22
mp-1245
1.837703
1.592753
1.18785
other
Sr2N1
3
166
89.41
mp-1185959
-3.757985
-1.072592
-5.681598
other
Mg2S4
6
166
122.96
mp-1104033
-6.206439
-1.348796
4.02413
other
Nb6Cr7
13
166
193.58
mp-1225078
-8.695481
-0.50382
2.939625
other
Fe1Ni3
4
166
44.19
mp-898
-6.903336
-4.293778
6.456419
other
Ho5Al15
20
166
377.01
mp-1227650
-4.84919
-7.501067
3.542018
other
Ba1Sr4
5
166
282.52
mp-1191158
-8.804631
-0.294968
4.849241
other
Nd5Co19
24
166
355.38
mp-1094181
-5.4979
-4.358599
4.207359
other
Hf1Mg1
2
166
44.05
mp-2331
-5.190092
0.603912
3.217767
other
B4Mo2
6
166
54.78
mp-30766
-6.518247
-6.868907
2.921014
other
Li5Sn2
7
166
125.67
mp-1190300
-9.331025
-1.37586
2.906676
other
Ho4Ni14
18
166
251.97
mp-1080258
-4.107488
-2.83979
-4.188205
other
Cs4Se2
6
166
306.81
mp-1216575
-5.869302
-6.882265
1.644769
other
Tl4Bi1
5
166
157.86
mp-1220054
-8.289753
-1.489391
3.175241
other
Ni1Rh1
2
166
24.6
mp-569843
-0.623596
1.245167
-4.842701
other
Mn1Br2
3
166
85.85
mp-1222495
-6.368692
-6.990272
3.18987
other
Li3Cd1
4
166
81.28
mp-27679
-0.231265
0.496027
-2.91519
other
La2Br2
4
166
157.25
mp-1095619
-9.26052
-1.479697
2.769202
other
Sm3Ni9
12
166
173.19
mp-1219517
-6.070766
-0.63958
3.469888
other
Re1Mo3
4
166
63.36
mp-1106070
-8.785572
-0.062142
4.451883
other
Dy2Co17
19
166
241.6
mp-754720
6.101075
13.380475
-2.601092
other
Co2O4
6
166
71.8
mp-23210
1.387472
2.22742
-5.301852
other
Mg1Cl2
3
166
69.5
mp-27772
-1.286208
1.826594
-2.503182
other
Nb6I16
22
166
739.82
mp-1540935
-1.178349
2.485728
-2.911624
other
Ge3I6
9
166
339.53
mp-752536
8.661462
14.81472
-1.169737
other
Mn5O8
13
166
159.68
mp-568690
-0.38197
1.187472
-4.318196
other
Cd1Br2
3
166
90.94
mp-541180
-6.210549
-2.655029
-1.06462
other
Te6Pt4
10
166
248.26
mp-569960
-0.309452
1.060569
-4.283038
other
Zn1Br2
3
166
92.36
mp-1190187
-9.327536
-1.481772
2.853967
other
Nd4Ni14
18
166
267.91
mp-1219836
-6.999074
-6.933858
7.400011
other
Pr2Y1
3
166
106.44
mp-27814
-2.391853
-0.267788
-4.820098
other
C1S14
15
166
410
mp-27923
0.831425
1.042327
-3.517179
other
Tb2Cl2
4
166
118.45
mp-1224108
-6.366036
-6.904042
2.177975
other
Hg1Pb4
5
166
150.44
mp-1411545
-5.260015
-0.728571
-4.242133
other
Ni1S2
3
166
58.44
mp-1813
-6.760242
-10.988788
5.908164
other
Ba2Mg17
19
166
503.25
mp-7285
-8.263728
-1.862023
2.897432
other
Hf3Ni9
12
166
150.07
mp-624
-3.13485
1.835291
2.66959
other
B12As2
14
166
129.32
mp-25199
11.771636
13.72353
-2.343262
other
V1O2
3
166
37.57
mp-569594
-6.831435
0.265525
3.607571
other
Fe7Mo6
13
166
166.94
mp-1188219
-9.298429
-1.389203
2.927029
other
Er4Ni14
18
166
250.69
mp-1061732
-5.5825
-3.958941
3.971872
other
Mg1Zr2
3
166
70.39
mp-12574
-7.489817
-6.56406
6.661202
other
Dy2C1
3
166
68.34
mp-1220285
-7.869806
-2.91895
2.736153
other
Nb1Pt4
5
166
80.66
mp-1101900
-8.742877
-0.358074
4.866791
other
Lu3Co9
12
166
168.9
mp-1094129
6.732008
8.111184
-2.792679
other
Li1O2
3
166
28.89
mp-1460
-6.30071
-6.01306
3.753493
other
Rb2Ga14
16
166
360.2
mp-1094418
-7.90918
-9.364228
6.92343
other
Y2Mg4
6
166
155.77
mp-11273
-5.020371
-1.480714
4.609496
other
Be9Nb3
12
166
127.15
mp-22452
-8.740785
-0.485867
4.819178
other
Pu3Co9
12
166
158.75
mp-1892
-4.311593
-5.894663
2.28228
other
Ba2N1
3
166
108.79
mp-1219333
6.105283
2.616738
-2.965796
other
Sc1C2
3
166
27.13
mp-1219925
-8.219808
-2.523204
2.890496
other
Pd1Rh1
2
166
29.62
mp-1217474
-6.338524
-6.214908
6.340363
other
Tb1Th1
2
166
63.77
mp-17639
-9.449668
-6.017442
4.243276
other
Y2Zn17
19
166
294.08
mp-30713
-9.453601
-6.029122
4.236887
other
Ho2Zn17
19
166
292.11
mp-1216296
-8.390585
-4.023722
2.091362
other
V1Pd4
5
166
75.02
mp-1183964
-4.780344
-6.559574
3.417042
other
Cs1Pm1
2
166
100.7
mp-1105643
-5.073641
-1.230276
4.647437
other
Hf2Be17
19
166
175.7
mp-1189139
-7.759419
0.304918
5.531943
other
Th4Fe14
18
166
280.17
mp-1221426
-7.466084
-1.410827
3.554453
other
Mo1Ir4
5
166
73.96
mp-1225704
-8.528597
-2.486811
3.66353
other
Cu1Rh1
2
166
25.76
mp-1216313
-7.126751
-1.069397
3.288307
other
V1Ni1
2
166
23.96
mp-1008776
-1.073056
0.713797
1.221328
other
Sr1C2
3
166
50.64
mp-27396
1.467929
2.53117
-5.086065
original
Ni1Cl2
3
166
62.18
mp-1224413
2.604583
-0.511114
-1.975132
other
H3Pd4
7
166
67.71