MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Hg2Sr1
|
0
|
-3.478
|
'P6/mmm' |
191 |
MatHub3d-54151-Hg2Sr1 |
Band
|
|
Hg1Tb1
|
0
|
-5.729
|
'Pm-3m' |
221 |
MatHub3d-54036-Hg1Tb1 |
Band
|
|
Hg2Th4
|
0
|
-31.052
|
'I4/mcm' |
140 |
MatHub3d-54157-Hg2Th4 |
Band
|
|
Hg4Th2
|
0
|
-17.244
|
'P6_3/mmc' |
194 |
MatHub3d-54259-Hg4Th2 |
Band
|
|
Hg6Th2
|
0
|
-17.999
|
'P6_3/mmc' |
194 |
MatHub3d-54291-Hg6Th2 |
Band
|
|
Hg1Ti1
|
0
|
-5.213
|
'P4/mmm' |
123 |
MatHub3d-54040-Hg1Ti1 |
Band
|
|
Hg1Ti3
|
0
|
-15.047
|
'Pm-3m' |
221 |
MatHub3d-54041-Hg1Ti3 |
Band
|
|
Hg2Ti6
|
0
|
-28.935
|
'Pm-3n' |
223 |
MatHub3d-54158-Hg2Ti6 |
Band
|
|
As8O16
|
3.336
|
-143.499
|
'Pnma' |
62 |
MatHub3d-6866-As8O16 |
Transport
|
|
Hg1Tl1
|
0.047
|
-2.439
|
'Pm-3m' |
221 |
MatHub3d-54042-Hg1Tl1 |
Band
|
|
Hg3Tl1
|
0
|
-2.894
|
'Pm-3m' |
221 |
MatHub3d-54180-Hg3Tl1 |
Band
|
|
Hg1Tm1
|
0.035
|
-5.628
|
'Pm-3m' |
221 |
MatHub3d-54044-Hg1Tm1 |
Band
|
|
Hg2U1
|
0
|
-11.139
|
'P6/mmm' |
191 |
MatHub3d-54161-Hg2U1 |
Band
|
|
Hg1Y1
|
0
|
-7.663
|
'Pm-3m' |
221 |
MatHub3d-54045-Hg1Y1 |
Band
|
|
Hg2Y1
|
0
|
-8.034
|
'P6/mmm' |
191 |
MatHub3d-54162-Hg2Y1 |
Band
|
|
Hg6Y2
|
0
|
-16.891
|
'P6_3/mmc' |
194 |
MatHub3d-54293-Hg6Y2 |
Band
|
|
Hg1Yb1
|
0
|
-2.961
|
'Pm-3m' |
221 |
MatHub3d-54046-Hg1Yb1 |
Band
|
|
Hg2Yb1
|
0
|
-3.368
|
'P-3m1' |
164 |
MatHub3d-54163-Hg2Yb1 |
Band
|
|
Hg1Zr1
|
0
|
-9.061
|
'P4/mmm' |
123 |
MatHub3d-54047-Hg1Zr1 |
Band
|
|
Hg2Zr6
|
0
|
-52.953
|
'Pm-3n' |
223 |
MatHub3d-54165-Hg2Zr6 |
Band
|
|
Hg3Zr1
|
0
|
-9.319
|
'Pm-3m' |
221 |
MatHub3d-54184-Hg3Zr1 |
Band
|
|
As6Eu8
|
0
|
-60.482
|
'I-43d' |
220 |
MatHub3d-6497-As6Eu8 |
Band
|
|
Ag2Cd1Mg1
|
0
|
-4.126
|
'Fm-3m' |
225 |
MatHub3d-626-Ag2Cd1Mg1 |
Band
|
|
Al3Ni2U1
|
0
|
-29.582
|
'P6/mmm' |
191 |
MatHub3d-3058-Al3Ni2U1 |
Band
|
|
La8Sb6
|
0
|
-78.050
|
'I-43d' |
220 |
MatHub3d-58588-La8Sb6 |
Band
|