MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Hg2La1
|
0
|
-6.495
|
'P6/mmm' |
191 |
MatHub3d-54071-Hg2La1 |
Band
|
|
Hg1Li1
|
0.032
|
-2.849
|
'Pm-3m' |
221 |
MatHub3d-53957-Hg1Li1 |
Band
|
|
Hg1Li3
|
0
|
-7.050
|
'Fm-3m' |
225 |
MatHub3d-53962-Hg1Li3 |
Band
|
|
Hg1Lu1
|
0
|
-5.576
|
'Pm-3m' |
221 |
MatHub3d-53963-Hg1Lu1 |
Band
|
|
Hg1Mg1
|
0
|
-2.143
|
'Pm-3m' |
221 |
MatHub3d-53966-Hg1Mg1 |
Band
|
|
Hg4Mg8
|
0
|
-15.322
|
'Pnma' |
62 |
MatHub3d-54202-Hg4Mg8 |
Band
|
|
Hg2Mg6
|
0
|
-10.408
|
'P6_3/mmc' |
194 |
MatHub3d-54104-Hg2Mg6 |
Band
|
|
Hg6Mg18
|
0
|
-31.196
|
'R32' |
155 |
MatHub3d-54270-Hg6Mg18 |
Band
|
|
Hg2Mg1
|
0
|
-2.259
|
'I4/mmm' |
139 |
MatHub3d-54094-Hg2Mg1 |
Band
|
|
Hg6Mg10
|
0
|
-19.590
|
'P6_3/mcm' |
193 |
MatHub3d-54269-Hg6Mg10 |
Band
|
|
Hg1Mn1
|
0.038
|
-6.997
|
'Pm-3m' |
221 |
MatHub3d-53969-Hg1Mn1 |
Band
|
|
Hg10Mn4
|
0
|
-28.685
|
'P4/mbm' |
127 |
MatHub3d-54334-Hg10Mn4 |
Band
|
|
Hg4Na4
|
0
|
-8.029
|
'Cmcm' |
63 |
MatHub3d-54215-Hg4Na4 |
Band
|
|
Hg2Na1
|
0
|
-2.392
|
'P6/mmm' |
191 |
MatHub3d-54107-Hg2Na1 |
Band
|
|
Hg8Na12
|
0
|
-20.804
|
'P4_2/mnm' |
136 |
MatHub3d-54309-Hg8Na12 |
Band
|
|
Hg1Nd1
|
0
|
-5.861
|
'Pm-3m' |
221 |
MatHub3d-53978-Hg1Nd1 |
Band
|
|
Hg2Nd1
|
0
|
-6.398
|
'P-3m1' |
164 |
MatHub3d-54114-Hg2Nd1 |
Band
|
|
Hg10Pd4
|
0
|
-15.994
|
'P4/mbm' |
127 |
MatHub3d-54337-Hg10Pd4 |
Band
|
|
Hg1Po1
|
0
|
-3.156
|
'Fm-3m' |
225 |
MatHub3d-54010-Hg1Po1 |
Band
|
|
Hg1Pr1
|
0
|
-5.880
|
'Pm-3m' |
221 |
MatHub3d-54011-Hg1Pr1 |
Band
|
|
Hg1Pt1
|
0.033
|
-4.109
|
'P4/mmm' |
123 |
MatHub3d-54013-Hg1Pt1 |
Band
|
|
Hg2Pt1
|
0
|
-4.531
|
'P4/mmm' |
123 |
MatHub3d-54140-Hg2Pt1 |
Band
|
|
Hg1Sc1
|
0.033
|
-6.146
|
'Pm-3m' |
221 |
MatHub3d-54021-Hg1Sc1 |
Band
|
|
Hg6Sc2
|
0
|
-13.022
|
'P6_3/mmc' |
194 |
MatHub3d-54283-Hg6Sc2 |
Band
|
|
Hg1Sr1
|
0
|
-2.897
|
'Pm-3m' |
221 |
MatHub3d-54035-Hg1Sr1 |
Band
|