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-865732
-8.102121
-7.15531
4.439777
other
Lu1Cd2
3
191
69.39
mp-1260
-8.194198
-4.448483
2.324816
other
Sr1Pd5
6
191
111.81
mp-545665
10.423242
11.208523
-3.095076
other
W3O9
12
191
180.66
mp-11562
-8.667447
-2.346725
3.768092
other
Tb1Rh5
6
191
100.08
mp-1832
-8.180674
-3.208714
2.453317
other
La1Pt5
6
191
112.12
mp-22311
-9.161975
-1.13118
2.691104
other
Eu1Ni5
6
191
82.24
mp-2462
-9.726287
-4.790429
4.1209
other
Pr1Cu5
6
191
91.36
mp-728
-7.136331
-6.358018
3.09091
other
Li2Pd1
3
191
41.04
mp-1179
-9.221692
-1.25446
2.854011
other
Dy1Ni5
6
191
78.89
mp-568006
-7.815539
0.755564
5.411662
other
Dy1Fe5
6
191
89.22
mp-542568
-7.914996
-6.912049
2.359597
other
Eu1Ag5
6
191
127.53
mp-1179413
-3.457489
-1.168329
-3.918343
other
Ta1S2
3
191
75.9
mp-394
-9.160843
-6.030398
4.555899
other
Ce1Zn5
6
191
104.08
mp-19773
-7.726758
-5.537011
5.679574
other
Gd1Ga2
3
191
63.8
mp-992
-6.199676
-6.481677
4.252885
original
Ca1Ga2
3
191
68.72
mp-1709
-5.116341
-3.83977
3.745814
other
U2Ti1
3
191
54.7
mp-21200
-6.28373
-4.64696
3.436329
other
Pu1Ga2
3
191
60.5
mp-1831
-8.514126
-6.229486
2.335045
other
Sr1Au5
6
191
128.3
mp-1228707
-4.217143
-5.69777
2.04884
other
Au1C1
2
191
34.86
mp-532105
15.614947
5.650551
0.353546
other
Si54O108
162
191
3,340.51
mp-11277
-5.014221
-1.240852
4.726837
other
Sc1Be5
6
191
62.92
mp-510098
-8.569087
-6.242915
2.265526
other
Eu1Au5
6
191
126.45
mp-1524385
-8.075603
-6.607035
3.733428
other
Ce2Ag4
6
191
138.36
mp-2684
-7.819467
-5.01405
5.683079
other
Tb1Ga2
3
191
62.6
mp-582464
-6.951467
-6.938031
7.112006
other
Nd1Gd2
3
191
67.07
mp-1059765
-0.118956
1.412032
-4.20076
other
Co1Br1
2
191
47.71
mp-811
-8.208273
-3.206214
2.388464
other
Ba1Pt5
6
191
116.97
mp-12072
-8.266441
-4.871962
2.966639
other
U1Au2
3
191
63.24
mp-567891
-8.492386
-6.999303
3.621107
other
Nd1Ag2
3
191
69.88
mp-1209
-8.052192
-6.135997
2.040088
other
Rb1Au5
6
191
131.95
mp-1180635
9.665727
8.405727
2.917799
other
La2O3
5
191
115.61
mp-764
-8.674264
-0.275688
4.703433
other
Ce1Co5
6
191
82.95
mp-30495
-8.244465
-7.178811
4.50116
other
Sm1Cd2
3
191
75.08
mp-980
-5.223145
-3.32168
5.061514
other
U1Si2
3
191
54.93
mp-12055
-8.172442
-6.920649
4.463821
other
La1Cd2
3
191
80.7
mp-1214766
3.655155
2.285403
-2.957292
other
Au1C2
3
191
86.54
mp-1183833
-7.975004
-9.119557
6.862187
other
Dy1Mg2
3
191
76.74
mp-1861
-6.189102
-2.944774
-2.260499
other
Cu4Te2
6
191
136.74
mp-11468
-8.083917
-8.116716
3.476798
other
Nd1Hg2
3
191
75.99
mp-30885
-9.336256
-6.245529
4.544661
other
Y1Zn5
6
191
99.43
mp-11526
-9.226267
-1.275048
2.860069
other
Tm1Ni5
6
191
77.75
mp-2170
-7.722709
-5.173068
3.144074
other
Li2Pt1
3
191
39.84
mp-7954
9.754016
8.372614
3.16872
other
Nd2O3
5
191
105.9
mp-28861
5.690151
2.136885
-2.61922
other
Cs3C24
27
191
384.58
mp-985579
-7.096465
0.232546
4.322141
other
Al1Fe2
3
191
37.79
mp-30364
-8.428939
-6.126698
2.364087
original
Ba1Au5
6
191
134.36
mp-944
-3.724998
1.497491
2.942004
other
Al1B2
3
191
25.28
mp-2435
-8.727824
-0.157962
4.699904
other
Ho1Co5
6
191
81.52
mp-1064690
-7.906721
-1.77345
4.679985
other
Nd1Ru3
4
191
74.65
mp-22478
-6.831517
-0.336438
3.954547
other
Fe3Ge3
6
191
89.03
mp-1008755
-3.434488
0.948567
3.208244
other
Sr1B2
3
191
42.1
mp-2837
-8.836071
-0.247675
4.819082
other
Pr1Co5
6
191
86.7
mp-1241
-7.141681
-6.958786
2.947746
other
Ba2Ag4
6
191
180.06
mp-853
-9.266771
-1.273553
2.890701
other
Er1Ni5
6
191
78.1
mp-11317
-7.827566
0.609448
5.422587
other
Ce1Fe5
6
191
90.22
mp-30753
-8.387434
-4.465138
2.322359
other
La1Pd5
6
191
110.87
mp-1009655
6.183378
3.128767
-2.53833
other
Ca1C2
3
191
27.93
mp-1207109
-8.180893
-8.185808
3.348822
other
Sm1Hg2
3
191
73.99
mp-2841
-4.621633
-4.270875
6.21964
other
Sc1Si2
3
191
50.8
mp-999496
1.995114
1.938072
0.588795
other
Na3N1
4
191
82.91
mp-965
-3.838878
1.52249
3.041264
other
Tb1B2
3
191
36.89
mp-21168
-6.463747
-6.381951
4.32083
other
Eu1Ga2
3
191
71.89
mp-2287684
-9.288214
-4.663301
3.827529
other
Ga1Cu2
3
191
39.48
mp-12707
-5.438587
-4.403599
4.296408
other
Zr2Np1
3
191
66.72
mp-2827
-8.743233
-0.154902
4.725478
other
Y1Co5
6
191
83.29
mp-1172848
-5.570354
-3.597882
-1.856744
other
Sb2Te3
5
191
155
mp-1535
-4.67097
-4.233616
6.0963
other
Tb1Si2
3
191
57.22
mp-866189
-7.983056
-6.629059
4.518123
other
Ce1Cd2
3
191
73.98
mp-772
-4.687611
-4.220873
6.171365
other
Tm1Si2
3
191
55.62
mp-1009823
-3.155303
1.521571
2.707697
other
Be1B2
3
191
21.39
mp-11826
-8.302138
-4.375856
2.301754
other
Ca1Pd5
6
191
107.83
mp-2553
-5.270211
-1.651422
4.7477
other
Hf1Be2
3
191
39.22
mp-20632
-7.137343
-4.027943
4.763522
other
U1Ga2
3
191
62.33
mp-10145
-3.575201
1.675435
3.177924
other
Yb1B2
3
191
35.72
mp-975644
7.967438
3.184596
-1.283933
other
Be1F2
3
191
27.38
mp-10186
-4.854931
-4.170529
5.316793
other
Pu1Si2
3
191
56.36
mp-1108
-4.751413
0.517926
3.202451
other
Ta1B2
3
191
27.41
mp-1606
-8.468928
-5.985178
2.527542
other
Nb1Au2
3
191
51.95
mp-763
-3.521974
1.637452
2.991285
original
Mg1B2
3
191
28.6
mp-579718
-6.294119
-6.026006
5.779851
other
Th2Cu1
3
191
75.7
mp-1225307
-9.654307
-4.673186
4.054182
other
Dy1Cu5
6
191
86.66
mp-2025
-4.975088
-1.217149
4.593174
other
Hf1Be5
6
191
60.84
mp-1075
-9.22293
-1.332841
2.800395
other
Sm1Ni5
6
191
80.96
mp-761
-9.529261
-4.631098
4.102651
other
Ce1Cu5
6
191
90.31
mp-1384
-8.45
-2.554669
3.949465
other
La1Ir5
6
191
109
mp-12752
-5.828019
-3.325164
4.337798
other
Zr4Al3
7
191
138.25
mp-1063610
-5.99977
-2.463619
4.085364
other
U1V2
3
191
50.05
mp-1188999
-5.613086
-4.515399
1.242474
other
Ce10Sb6
16
193
474.33
mp-1105965
-7.730777
-7.097462
5.60486
other
Er10Tl6
16
193
447.09
mp-510262
4.075351
1.749974
-0.103879
other
Cs6O2
8
193
511.01
mp-1189573
-7.116912
-3.314032
4.304235
other
Hf10Ir6
16
193
299.06
mp-1190304
-6.46438
-1.153163
3.999146
other
V10Ga6
16
193
229.54
mp-1189874
-7.551953
-6.480444
5.2538
other
Sm10Sn6
16
193
490.99
mp-206
-5.223682
-4.512269
6.135547
other
Tb10Si6
16
193
398.69
mp-449
-6.527155
-0.317129
3.474908
original
Fe10Si6
16
193
182.1
mp-1105551
-8.664386
-6.006326
6.413049
other
Tb10Rh6
16
193
370.72
mp-1210556
-8.068189
-6.566413
5.84773
other
Lu10In8
18
193
460.41
mp-570483
-6.048123
-1.044622
3.811706
other
V10Si6
16
193
210.5
mp-22871
1.209187
1.87126
-4.264989
other
Zr2Cl6
8
193
223.76
mp-1105838
-6.630664
-5.626924
3.53511
other
Nd10Bi6
16
193
518.97