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-2568
-4.672231
-4.325914
6.159338
other
Y1Si2
3
191
57.4
mp-568503
-6.423804
0.520762
3.736238
other
Fe2C1
3
191
31.31
mp-1001581
5.767452
2.188165
-2.778895
other
Li1C6
7
191
58.63
mp-981212
-7.903348
-9.287155
6.829337
other
Tm1Mg2
3
191
75.71
mp-985578
-7.204039
-1.021871
5.840631
other
Al1Fe1
2
191
29.81
mp-774
-9.234735
-1.28822
2.750799
other
Ca1Ni5
6
191
80.17
mp-1206486
-6.577245
-6.718404
3.126037
other
Sr1In5
6
191
183.95
mp-2689
-7.785928
0.547511
5.373496
other
Th1Fe5
6
191
91.37
mp-1607
-9.52471
-4.685494
3.883048
other
Yb1Cu5
6
191
87.32
mp-11363
-9.605562
-4.691796
4.051858
other
Tb1Cu5
6
191
87.23
mp-809
-8.642183
-0.32515
4.690956
other
Th1Co5
6
191
84.68
mp-1671
-4.35367
-4.971927
5.960599
other
Yb1Si2
3
191
59.45
mp-2359
-8.137129
-3.136056
2.471384
other
Nd1Pt5
6
191
110.72
mp-973935
4.580103
2.670182
-2.420286
other
Os1N2
3
191
33.76
mp-1377
-9.444199
-4.907856
4.23248
other
Th1Cu2
3
191
57.53
mp-220
-8.817204
-1.682613
3.247454
other
Th1Ni2
3
191
54.25
mp-12062
-3.401911
1.37155
3.108129
other
Ag1B2
3
191
32.24
mp-20965
-8.207148
-7.05452
4.596954
other
Gd1Cd2
3
191
74.3
mp-570673
-9.104139
-1.280375
2.92222
other
Sc1Ni5
6
191
74.88
mp-1914
-7.739102
-5.167141
5.661014
other
Y1Ga2
3
191
62.58
mp-669
-6.590332
-4.799945
5.990536
original
Th1Al2
3
191
70.29
mp-2066
-9.483287
-4.914869
3.941173
other
Eu1Cu5
6
191
90.83
mp-19849
-6.713603
-4.580967
4.840621
other
Np1Ga2
3
191
62.34
mp-1025223
-5.881284
-3.307616
4.473523
other
Hf4Al3
7
191
132.83
mp-2145
-4.777836
-4.122711
6.168009
other
Er1Si2
3
191
55.4
mp-1025297
5.894471
2.448437
-2.656352
other
Sm1C6
7
191
75.14
mp-542777
-8.028722
-3.153922
2.584574
other
Ce1Pt5
6
191
110.25
mp-2057
-3.960252
1.496243
3.138652
other
Dy1B2
3
191
36.28
mp-1059462
0.709263
3.273539
1.858297
other
Mo1N1
2
191
27.96
mp-1752
-4.710141
-4.209106
6.170565
other
Ho1Si2
3
191
56.6
mp-1025030
-8.135985
-3.07562
2.557433
other
Er1Pt5
6
191
107.51
mp-1008676
-3.355519
-1.792695
-4.167284
other
Ti1S2
3
191
47.23
mp-1491
-5.330125
0.668383
3.166414
other
V1B2
3
191
23.33
mp-11466
-7.276933
-7.717095
2.024441
other
Na1Hg2
3
191
73.6
mp-1100266
-4.28543
-4.961277
-3.416506
other
Ce34Se68
102
191
9,636.56
mp-2436
-9.269115
-6.089001
4.250169
other
Eu1Zn5
6
191
105.66
mp-569264
-8.450706
-2.54421
4.001987
other
Nd1Ir5
6
191
107.7
mp-568654
-8.473561
-6.973213
3.609521
other
Pr1Ag2
3
191
71.5
mp-7496
-8.461451
-6.161028
4.654342
other
Th1Zn2
3
191
64.34
mp-2740
-8.76265
-0.130803
4.692013
other
Er1Co5
6
191
81.93
mp-7751
-8.009711
-3.142079
2.532381
other
Pu1Pt5
6
191
109.67
mp-1019271
1.810404
2.093501
2.223089
other
Ta2N4
6
191
71.76
mp-19839
-7.686736
-5.30932
5.480324
other
La1Ga2
3
191
71.69
mp-2551
-8.782755
-0.127277
4.744713
other
Dy1Co5
6
191
82.76
mp-374
-5.086449
0.607232
3.151863
original
Cr1B2
3
191
22.99
mp-570749
-7.680301
-7.829809
2.848966
other
Yb1Hg2
3
191
76.34
mp-1542
-3.943537
1.43806
3.122802
other
Y1B2
3
191
36.45
mp-425
-3.674931
1.463915
2.961826
other
Gd1B2
3
191
37.26
mp-2606
-8.123071
-4.572454
2.141747
other
Ba1Pd5
6
191
116.92
mp-2370
-9.250354
-1.351889
2.793605
other
Pr1Ni5
6
191
82.79
mp-11294
-8.167779
-7.171536
4.583583
other
Dy1Cd2
3
191
72.5
mp-30497
-8.212245
-7.154142
4.509434
other
Tb1Cd2
3
191
73.07
mp-12602
-9.215426
-6.27652
4.70159
other
Pr1Zn5
6
191
104.66
mp-11419
-7.333172
-5.034697
5.489606
other
Th1Ga2
3
191
66.57
mp-21315
-9.253348
-1.147444
2.913403
other
Pu1Ni5
6
191
79.69
mp-1083
-3.697033
1.681685
2.846483
other
Np1B2
3
191
34.73
mp-1824
-9.294768
-1.337389
2.83273
other
Nd1Ni5
6
191
82.03
mp-450
-4.559897
0.687342
3.087912
original
Nb1B2
3
191
28.04
mp-28228
-5.961928
-3.321369
-2.66361
other
Ag35Te20
55
191
1,432.78
mp-2209
-7.50045
-5.103447
5.175974
other
Ce1Ga2
3
191
67.89
mp-636253
-9.59866
-4.72166
4.123021
other
Gd1Cu5
6
191
88.17
mp-568258
-6.842278
-0.520442
3.130848
other
Fe2Ge1
3
191
39.43
mp-1200
-8.773129
-0.130803
4.742039
other
Tb1Co5
6
191
83.13
mp-2324
-8.267068
-6.999117
4.521691
other
Pr1Cd2
3
191
78.17
mp-638
-9.147705
-6.064399
3.991199
other
Sr1Zn5
6
191
109.44
mp-11565
-8.738943
-2.441778
3.776443
other
Y1Rh5
6
191
103.51
mp-1566
-7.805301
0.658831
5.497368
other
Sm1Fe5
6
191
91.68
mp-1072579
-2.491794
-8.130114
1.677376
other
Th1Co5
6
191
279.05
mp-800
-3.905624
1.506787
3.082898
other
Tm1B2
3
191
34.58
mp-1217774
-5.301822
-3.700342
3.460066
other
Ta2C1
3
191
46.86
mp-1805
-8.766816
-2.366813
3.800388
other
Er1Rh5
6
191
102.63
mp-22217
-8.264404
-4.412268
2.449215
other
Ce1Pd5
6
191
111.5
mp-1008865
-8.288247
-6.938099
4.590022
other
Nd1Cd2
3
191
76.72
mp-30808
-9.247903
-1.251119
2.856434
other
Tb1Ni5
6
191
79.24
mp-30801
-9.186676
-6.257793
4.619135
other
Nd1Zn5
6
191
103.7
mp-1206978
-5.519917
-4.041127
3.823416
other
Zr2U1
3
191
71.68
mp-11311
-8.233957
-7.201828
4.452468
other
Tm1Cd2
3
191
70.46
mp-2355
-0.01784
2.139591
2.317818
other
Mo2N2
4
191
49.33
mp-477
-7.796355
-5.364208
5.674924
other
Sm1Ga2
3
191
65.25
mp-1734
-9.281907
-5.993353
4.096027
other
Ca1Zn5
6
191
102.31
mp-1298
-8.241337
-6.078304
2.096807
other
K1Au5
6
191
128.73
mp-10681
-3.519271
1.172393
2.892763
other
B2Au1
3
191
33.32
mp-1994
-4.544769
0.775583
3.030042
other
Hf1B2
3
191
29.57
mp-569927
-9.317599
-6.153295
4.470515
other
Er1Zn5
6
191
97.8
mp-442
-7.898812
-3.848533
3.155025
original
Rh3Pb3
6
191
126.28
mp-227
-9.68118
-4.776525
4.108277
other
Sm1Cu5
6
191
89.03
mp-680599
-8.027372
-1.007098
4.146719
other
V6Co18
24
191
517.92
mp-1021323
5.664325
2.052657
-2.806501
other
Li1C12
13
191
111.43
mp-1910
-9.194103
-1.360935
2.904006
other
Ce1Ni5
6
191
80.26
mp-11301
-8.145918
-7.118389
4.53597
other
Ho1Cd2
3
191
71.69
mp-30469
-6.082712
-5.893291
0.798599
other
Tl1Bi2
3
191
95.78
mp-11463
-8.198467
-8.045876
3.424231
other
La1Hg2
3
191
79.01
mp-1180047
8.123379
9.827667
-1.158143
other
Ni1O1
2
191
25.5
mp-21305
-9.1773
-1.29725
2.768137
other
Gd1Ni5
6
191
80.16
mp-19876
-8.411436
-2.064929
2.692932
other
In3Ni3
6
191
102.22
mp-21260
-7.35145
-1.635397
2.570165
other
Fe3Sn3
6
191
110.03
mp-570454
0.879807
1.534261
2.680413
other
Ta3N3
6
191
77.94
mp-13449
-7.405684
-5.504034
4.569241
other
Yb1Ga2
3
191
63.58
mp-30585
-9.666964
-4.66173
4.011848
other
Ho1Cu5
6
191
86.23
mp-11296
-8.119823
-7.083588
4.534911
other
Er1Cd2
3
191
71.17