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-631574
-4.795669
-7.059429
3.535736
other
Ba2Be1Ga1
4
216
120.88
mp-962066
-5.836189
-3.705074
-2.266709
other
Na1Li1Te1
3
216
83.25
mp-1207822
-8.189155
-6.486314
6.601003
other
Y16Mg4Ir4
24
216
654.73
mp-12006
-9.143328
-1.562231
2.864203
other
Ce1Cd1Ni4
6
216
86.08
mp-1226056
-5.582772
-0.658631
-4.083484
other
Co5Cu1S8
14
216
206.76
mp-21425
-7.584656
-3.915365
3.647949
other
U1Ni1Sn1
3
216
65.52
mp-1228170
-4.38664
-1.245286
-6.101533
other
Al5Ag1S8
14
216
264.05
mp-631383
-6.493799
-1.089154
4.015749
other
Mn1Cr1Re1
3
216
47.24
mp-1225652
-6.036043
-2.889554
-2.546737
other
Cu1Ag1Te1
3
216
68.23
mp-1019552
2.708482
2.214096
1.637641
other
Ca16Si17N34
67
216
860.88
mp-631526
-4.062563
-5.513481
5.535859
other
Si1B1Pb1
3
216
63.07
mp-20269
-8.220461
-3.350462
2.980769
other
Mn1Ga1Pt1
3
216
49.98
mp-1191587
-7.938649
-6.625752
6.63826
other
Gd16Mg4Rh4
24
216
666.76
mp-1217558
-7.075644
-4.486392
6.467793
other
Tb1Dy1Al4
6
216
120.43
mp-631368
-6.881042
-1.440945
4.239673
other
Si1Sb1Os2
4
216
65.55
mp-631329
-7.731826
-1.637584
4.718413
other
K1Mo1Ru2
4
216
66.33
mp-1206024
-9.027192
-1.595252
2.919036
other
Ho1In1Ni4
6
216
84.44
mp-1018041
-5.975603
-2.809742
4.128772
other
Ti2Mn1In1
4
216
63.97
mp-1211042
-6.252138
-6.465041
3.275307
other
Li1Si1Ag2
4
216
64.92
mp-961669
-7.567818
-4.161644
3.358921
other
Nb1Ga1Pt1
3
216
58.3
mp-632623
-6.454896
-2.306466
4.017191
other
Mn1In2W1
4
216
72.55
mp-631301
-3.499866
-3.731291
0.042907
other
Hg1P1Rh1
3
216
60.84
mp-1217247
-6.182914
-2.62364
3.949253
other
Ti16Co4Ni4
24
216
352.27
mp-10685
-5.751802
-5.674983
0.813919
other
Cd1Cu1Sb1
3
216
70.41
mp-631308
-4.508872
-2.616595
-3.656084
other
Sn1Ir1Se2
4
216
76.8
mp-16376
-6.448388
-3.894141
0.740034
other
Ho1Sb1Pt1
3
216
70.24
mp-3158
-6.453827
-4.561057
0.862871
other
Li2Sb1Pt1
4
216
62.53
mp-3462
-8.716311
-6.197342
3.069972
other
Tm1Sn1Au1
3
216
72.62
mp-1212924
-8.160933
-6.391161
6.251137
other
Er16Cd4Ni4
24
216
587.11
mp-631267
-5.772912
-2.91349
2.049211
other
Ta1Fe1Sb1
3
216
59.09
mp-30389
-8.605013
-6.62751
3.146156
original
Ho1Pb1Au1
3
216
77.36
mp-1207201
-8.487669
-0.718429
4.712555
other
Tm1In1Co4
6
216
86.12
mp-1072097
-8.195148
-3.308186
2.497625
other
Gd1In1Pt4
6
216
110.29
mp-1208468
-8.189497
-6.47985
6.471798
other
Tb16Cd4Pt4
24
216
641.79
mp-962063
-7.200738
-7.035556
5.229788
other
La1Mg1Tl1
3
216
92.35
mp-1215213
-6.483061
-1.243643
4.324128
other
Zr1Ta1Cr4
6
216
85.87
mp-961695
-5.614835
-3.792829
-1.012063
other
La1Co1Te1
3
216
71.33
mp-1077738
-9.081236
-1.408548
2.687995
other
Yb1Cd1Ni4
6
216
82.33
mp-1224067
-6.0438
-1.446938
3.948447
other
Hf1Zr1W4
6
216
110.31
mp-11869
-7.938698
-4.742523
2.838343
other
Hf1Sn1Pd1
3
216
63.07
mp-631530
-4.167246
-7.288433
1.414469
other
Hg2B1Cl1
4
216
90.89
mp-1214047
-6.777295
-5.743667
5.40384
other
Ce16Cd4Ni4
24
216
632.79
mp-1215709
-7.560381
-0.196767
5.66729
other
Y1Zr1Fe4
6
216
94.38
mp-1206686
-6.402053
-4.827682
1.044053
other
Tb1Ni1Bi1
3
216
67.22
mp-1212922
-8.104079
-6.638549
6.703538
other
Dy16Cd4Ni4
24
216
604.27
mp-551758
6.416118
5.9802
-3.590223
other
Ag1Cl1O4
6
216
99.02
mp-1215433
-6.991541
-4.575311
6.099202
other
Yb1Lu1Al4
6
216
121.26
mp-631462
-5.504795
-0.873307
3.425229
other
Be1Tc1Se1
3
216
42.46
mp-999047
-5.827845
-1.964103
4.425045
other
Ti2Mn1Si1
4
216
54.71
mp-2228477
7.104917
13.380184
-1.756217
other
Mg1Co5O8
14
216
150.13
mp-1207143
-8.281722
-6.550808
4.119625
other
La1Cd2Cu1
4
216
91.51
mp-631394
-5.724681
-6.730516
4.259058
other
Ca1Zr1Pd1
3
216
72.29
mp-631440
-5.802135
-3.716969
-1.630476
other
Bi1Te1Ir1
3
216
81.71
mp-1024984
-8.170649
-3.280666
2.575765
other
Tb1In1Pt4
6
216
109.58
mp-1009544
-3.712542
-4.777676
0.723642
other
Cs1Rb1P1
3
216
144.45
mp-1215224
-7.202853
0.091142
4.821149
other
Zr1Nb1Fe4
6
216
85.81
mp-1221878
-6.591491
-4.60124
0.804704
other
Mn10Bi8Pd4
22
216
472.94
mp-31452
-6.239918
-4.763567
0.935013
other
Zr1Ni1Bi1
3
216
62.27
mp-4510
-6.169235
-3.856272
0.879532
other
Dy1Ni1Sb1
3
216
62.85
mp-1024940
-8.50804
-0.705821
4.669011
other
Dy1In1Co4
6
216
87.76
mp-1208976
-7.603093
-6.839699
6.988515
other
Sm16Mg4Ni4
24
216
662.39
mp-1077596
-8.144216
-3.272799
2.519011
other
Eu1In1Pt4
6
216
111.95
mp-583030
-7.908396
-3.681648
2.462065
other
Mn1Sn1Pt1
3
216
57.55
mp-1212902
-7.857544
-6.710864
6.814055
other
Dy16Mg4Ni4
24
216
622.2
mp-631517
-4.406162
-7.116732
3.057406
other
Ba1Be1Ga1
3
216
98.82
mp-33623
11.781851
11.857591
0.165909
other
Lu4V4O13
21
216
248.41
mp-1206278
-9.547899
-4.898679
4.154324
other
Nd1In1Cu4
6
216
96.61
mp-631510
-4.939378
-4.36932
3.975792
other
Hf1Be2Bi1
4
216
75.02
mp-30560
-6.628472
-3.505248
3.301067
other
Nb1Co1Sn1
3
216
59.17
mp-1024962
-8.486698
-0.693691
4.664019
other
Ho1In1Co4
6
216
86.88
mp-2221507
-4.979311
0.055062
-5.06144
other
V4Cu2S8
14
216
240.51
mp-11830
-6.744111
-6.003393
3.959109
other
Li1Ce1Sn1
3
216
76.54
mp-568926
-6.511589
-4.182709
1.089561
other
Gd1Sb1Pt1
3
216
76.8
mp-1207177
-6.647068
-5.046977
0.907624
other
Tb1Bi1Pd1
3
216
75.05
mp-1077088
-9.10003
-1.571815
2.719625
other
Pr1Cd1Ni4
6
216
89.19
mp-999069
-6.038639
-1.898673
4.526407
other
Ti2Al1Fe1
4
216
58.13
mp-1222685
-6.988862
-4.570826
6.160989
other
La1Yb1Al4
6
216
130.71
mp-672708
-4.831216
-1.284979
-5.60934
other
Fe4Cu8S8
20
216
316.24
mp-1076992
-8.131242
-3.109441
2.844308
other
U1Ir1Pt4
6
216
103.88
mp-1219708
-7.07985
-4.580967
6.465075
other
Pr1Y1Al4
6
216
126.01
mp-1077165
-9.371454
-4.694959
3.614294
other
Yb1Cu4Au1
6
216
88.22
mp-27608
11.782228
6.567374
-2.04827
other
Be4Te1O7
12
216
108.82
mp-1222113
-6.89227
-10.731025
4.648105
other
Mg4Sn1Ge1
6
216
135.38
mp-961724
-6.546146
-4.462039
1.48376
other
Zr1Bi1Rh1
3
216
73.25
mp-5584
-6.481163
1.268522
-4.259226
other
Ga1Mo4Se8
13
216
273.02
mp-1224937
-8.631915
-0.529538
5.012519
other
Gd1Y1Co4
6
216
92.95
mp-1227028
-6.455058
-5.080432
5.47447
other
Ca1Yb1Al4
6
216
127.8
mp-30392
-7.695741
-6.70931
2.759026
other
Li2In1Au1
4
216
67.91
mp-1217277
-6.240338
-2.418956
4.07919
other
Ti16Fe4Ni4
24
216
357.4
mp-1212949
-8.401587
-6.37916
6.138023
other
Er16Cd4Pt4
24
216
612.83
mp-1215214
-7.576477
-1.131603
4.232233
other
Zr1Nb1Co4
6
216
79.26
mp-29225
13.323166
7.977112
0.225052
other
Al4Cu2O7
13
216
152.3
mp-866461
-6.995267
-5.589293
5.647916
other
Ce16Mg4Ru4
24
216
656.44
mp-11242
-8.564428
-6.602302
3.081181
other
Dy1Pb1Au1
3
216
77.92
mp-31453
-6.537632
-3.538868
1.393475
other
Nb1Sb1Rh1
3
216
60.59
mp-1072381
-9.205097
-1.633946
2.807405
other
Lu1Ni4Au1
6
216
82.76
mp-1212959
-8.034119
-6.473216
6.502336
other
Er16Mg4Co4
24
216
596.46
mp-8003
2.897577
2.320206
1.666883
other
Si1C1N1
3
216
26.98
mp-631373
-5.715698
-1.9692
4.009635
other
Ti1V1W1
3
216
54.38
mp-604378
-8.354657
-6.396129
6.433612
other
Tb16In4Ir4
24
216
639.05