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-571353
-6.618074
-6.25737
2.397321
other
Ba1Sn5
6
191
183.81
mp-10144
-5.262281
0.78968
3.464319
other
B2W1
3
191
26.76
mp-11472
-7.363303
-7.70006
2.416324
other
Sr1Hg2
3
191
87.49
mp-2267
-3.960097
1.507726
3.085781
other
Ho1B2
3
191
35.71
mp-11287
-7.597657
-7.977336
2.492097
other
Ca1Hg2
3
191
76.01
mp-1331
-8.154881
-7.096115
4.561129
other
Y1Cd2
3
191
73.28
mp-1206995
-4.306464
-7.075842
1.789364
other
K2Ag1
3
191
121.8
mp-1181137
-7.723042
0.648544
5.399224
other
Gd1Fe5
6
191
90.54
mp-12892
-3.999125
-5.168708
5.606871
other
Ca1Si2
3
191
61.39
mp-570832
-8.224438
-3.19108
2.450577
other
Sr1Pt5
6
191
112.32
mp-1774
-3.933248
1.55017
3.069227
other
Er1B2
3
191
35.11
mp-11280
-5.080208
-1.239667
4.663033
other
Ti1Be12
13
191
113.51
mp-11385
-7.799838
0.717498
5.437537
other
Y1Fe5
6
191
89.68
mp-2252
-4.152165
1.615312
3.114971
other
Sc1B2
3
191
30.29
mp-569376
-5.787011
0.792592
3.386403
other
Fe1B2
3
191
21.82
mp-1497
0.776372
1.551313
2.910736
other
Ta3N3
6
191
70.32
mp-30620
-8.719075
-2.337636
3.79519
other
Dy1Rh5
6
191
99.79
mp-1008568
-5.544843
-3.372685
3.907123
other
Zr1Ti2
3
191
58.06
mp-1207072
-5.606749
-4.055627
3.997478
other
Hf2U1
3
191
69.46
mp-1210
-7.869465
-6.54187
4.339162
other
Th1Cd2
3
191
76.04
mp-30363
-6.980577
-6.240596
1.950239
other
Ba1Au2
3
191
86.21
mp-1256
-7.815333
-4.933468
5.675007
original
Ho1Ga2
3
191
61.21
mp-10141
-3.789935
1.461501
2.996225
other
Sm1B2
3
191
38.81
mp-1553
-9.26686
-1.278909
2.864631
original
Ho1Ni5
6
191
78.54
mp-20125
-4.656301
-4.328047
6.104727
other
Gd1Si2
3
191
58.1
mp-1184881
-7.919854
-9.141169
6.756736
other
Ho1Mg2
3
191
76.31
mp-20064
-7.839061
-5.108389
5.605563
other
Dy1Ga2
3
191
61.85
mp-20536
-7.536059
-1.894853
2.637639
other
Co3Sn3
6
191
99.81
mp-1204057
15.594201
5.662009
0.33142
other
Si72O144
216
191
4,596.03
mp-20719
-7.660472
-7.743667
2.601519
other
Eu1Hg2
3
191
81.18
mp-571292
-0.741615
2.416893
-3.22374
other
Zn1I2
3
191
112.95
mp-11219
-3.989653
1.502217
3.115173
other
Lu1B2
3
191
33.58
mp-680434
-7.538827
-6.947007
2.515799
other
Na26Cd141
167
191
4,000.1
mp-567406
-9.301202
-6.304982
4.692955
other
Sm1Zn5
6
191
101.71
mp-1882
-9.521379
-4.777471
3.927565
other
Ca1Cu5
6
191
88.57
mp-312
-8.560011
-2.595665
4.020059
other
Th1Ir5
6
191
106.18
mp-849075
-3.730538
-1.727622
-4.400283
other
Ni1S2
3
191
42.27
mp-1228687
-4.219944
1.593182
2.984365
other
B12Mo3
15
191
136.15
mp-30481
-8.175975
-3.100152
2.4758
other
Ca1Pt5
6
191
109.16
mp-672250
-5.43488
-2.902246
3.838395
other
Ti3Ga1
4
191
71.17
mp-993
-4.685073
-4.278116
6.162822
other
Dy1Si2
3
191
57.38
mp-1009695
-3.387627
1.280224
3.026565
other
Ca1B2
3
191
36.67
mp-1731
-8.869223
-0.273739
4.873004
other
La1Co5
6
191
86.52
mp-569
-8.803027
-0.216858
4.786517
other
Nd1Co5
6
191
85.93
mp-19862
-4.171444
-5.020724
5.72357
other
Eu1Si2
3
191
62.14
mp-30725
-8.153103
-8.239091
3.486025
other
Y1Hg2
3
191
72.06
mp-1011376
-4.013626
-3.902373
-3.30405
other
Ce1Se2
3
191
71.5
mp-2152
-9.288005
-1.236736
2.864755
other
Y1Ni5
6
191
79.34
mp-1037
-8.130346
-3.140429
2.491753
other
Pr1Pt5
6
191
111.29
mp-571283
-8.757006
-2.384519
3.743619
other
Gd1Rh5
6
191
104.02
mp-2726
-9.561172
-4.877918
3.951375
other
Sr1Cu5
6
191
94.06
mp-1145
-4.540748
0.790011
3.053428
other
Ti1B2
3
191
25.6
mp-30627
-9.320473
-6.236802
4.5772
other
Dy1Zn5
6
191
98.88
mp-1077071
-8.721061
-0.135815
4.764388
other
Gd1Co5
6
191
83.28
mp-1140
-9.686193
-4.815823
4.118405
other
Nd1Cu5
6
191
90.47
mp-1567
-9.203905
-1.305667
2.86499
other
Th1Ni5
6
191
82.19
mp-11491
-9.200929
-1.304183
2.873778
other
Lu1Ni5
6
191
77.08
mp-2422
-7.889032
-4.858424
5.509637
other
Er1Ga2
3
191
60.5
mp-1065290
-8.778829
-2.773667
4.049924
other
Nd1Rh3
4
191
75.32
mp-11267
-7.0747
-7.665967
2.270151
other
Ba2Hg4
6
191
195.06
mp-585
-4.916834
0.888713
2.947243
other
Mn1B2
3
191
23.98
mp-8602
15.707767
5.607115
0.353452
other
Si34O68
102
191
2,025.56
mp-1514
-4.13607
1.318745
3.027478
other
U1B2
3
191
33.38
mp-7497
-4.989779
-4.242019
5.793129
other
Th1Si2
3
191
61.17
mp-1814
-7.788974
-6.825329
2.436428
other
Ba1Ag5
6
191
136.98
mp-1472
-4.321297
0.924579
3.003486
other
Zr1B2
3
191
30.87
mp-2645
-9.198975
-1.183241
2.729816
original
Yb1Ni5
6
191
79
mp-960
-5.116793
0.727122
3.312368
other
B2Mo1
3
191
26.64
mp-2613
-9.721741
-4.77722
4.17415
other
La1Cu5
6
191
92.79
mp-2317
-9.293405
-1.346763
2.862833
other
La1Ni5
6
191
83.53
mp-11283
-5.024067
-1.236324
4.611235
other
Zr1Be5
6
191
62.55
mp-1025
-9.093125
-6.237468
2.647527
other
Th1Au2
3
191
68.27
mp-30506
-8.150929
-7.760671
3.539156
other
Ce1Hg2
3
191
75.34
mp-182
-5.965248
-6.654691
3.975143
other
Sr1Ga2
3
191
77.15
mp-1025137
-9.088949
-1.329237
2.879562
other
Np1Ni5
6
191
79.88
mp-2424
-9.255361
-6.236262
4.629014
other
La1Zn5
6
191
107.21
mp-1252
-5.302455
-1.597323
4.510575
other
Zr1Be2
3
191
41.04
mp-680222
15.56147
5.643237
0.309081
other
Si48O96
144
191
4,476.98
mp-2812
-7.806349
0.729169
5.400817
other
Ho1Fe5
6
191
88.77
mp-2524
-7.812007
-5.3997
5.624006
other
Nd1Ga2
3
191
67.41
mp-668
-7.846123
-5.340446
5.562988
other
Pr1Ga2
3
191
68.76
mp-2797
-9.592582
-4.727068
4.049719
other
Y1Cu5
6
191
87.42
mp-309
-8.346524
-6.774206
3.609959
other
Th1Ag2
3
191
68.75
mp-1754
-8.114639
-7.946883
3.502398
other
U1Hg2
3
191
70.58
mp-571172
-6.207799
-6.036039
0.977224
other
In2Bi1
3
191
90.25
mp-1222698
-3.826886
0.698503
3.467255
other
Li2B1
3
191
26.6
mp-11367
-8.173757
-8.312967
3.516152
other
Dy1Hg2
3
191
71.26
mp-1429
-8.832923
-0.200593
4.763172
other
Sm1Co5
6
191
84.7
mp-2251
1.947063
2.075486
1.349952
other
Li3N1
4
191
43.5
mp-2051
-9.282056
-5.236928
4.661357
other
La1Cu2
3
191
61.67
mp-2410
-7.89198
-6.913272
2.416044
other
Sr1Ag5
6
191
130.04
mp-30507
-8.410491
-2.538245
4.00346
other
Ce1Ir5
6
191
104.57
mp-11369
-8.241698
-8.316704
3.616395
other
Er1Hg2
3
191
70.08
mp-1103
-4.615161
-4.292377
6.221841
other
Lu1Si2
3
191
54.98
mp-11461
-8.190316
-8.226951
3.514597
other
Ho1Hg2
3
191
70.73
mp-11553
-7.109871
-5.619099
2.554426
other
Tl3Pt3
6
191
152.34
mp-7701
-3.951447
-5.376221
5.419789
other
Ba1Si2
3
191
75.65
mp-580
-4.035737
1.513844
2.86742
other
Pu1B2
3
191
34.46
mp-11382
-7.804426
0.62639
5.489928
other
Nd1Fe5
6
191
93.24
mp-1219
-5.696016
-6.66953
3.626923
other
Ba1Ga2
3
191
87.06