MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ac1Er3
|
0
|
-17.262
|
'Pm-3m' |
221 |
MatHub3d-26-Ac1Er3 |
Band
|
|
Ac1Fe1O3
|
0.866
|
-37.045
|
'Pm-3m' |
221 |
MatHub3d-27-Ac1Fe1O3 |
Transport
|
|
Ac1Ga1Te2
|
0.480
|
-16.941
|
'Fm-3m' |
225 |
MatHub3d-28-Ac1Ga1Te2 |
Transport
|
|
Ac1Ga2Yb1
|
0
|
-12.977
|
'Fm-3m' |
225 |
MatHub3d-29-Ac1Ga2Yb1 |
Band
|
|
Ac1H2
|
0
|
-12.533
|
'Fm-3m' |
225 |
MatHub3d-30-Ac1H2 |
Band
|
|
Ac1H3
|
0.657
|
-16.397
|
'Fm-3m' |
225 |
MatHub3d-31-Ac1H3 |
Transport
|
|
Ac1Hg2In1
|
0
|
-8.666
|
'Fm-3m' |
225 |
MatHub3d-32-Ac1Hg2In1 |
Band
|
|
Ac1Hg2Mg1
|
0
|
-7.697
|
'Fm-3m' |
225 |
MatHub3d-33-Ac1Hg2Mg1 |
Band
|
|
Ac1Hg2Na1
|
0
|
-7.329
|
'Fm-3m' |
225 |
MatHub3d-34-Ac1Hg2Na1 |
Band
|
|
Ac1Hg2Sr1
|
0
|
-8.193
|
'Fm-3m' |
225 |
MatHub3d-35-Ac1Hg2Sr1 |
Band
|
|
Ac1Hg2Tl1
|
0
|
-8.249
|
'Fm-3m' |
225 |
MatHub3d-36-Ac1Hg2Tl1 |
Band
|
|
Ac1Hg2Yb1
|
0
|
-8.223
|
'Fm-3m' |
225 |
MatHub3d-37-Ac1Hg2Yb1 |
Band
|
|
Ac1In1Li2
|
0
|
-11.331
|
'Fm-3m' |
225 |
MatHub3d-38-Ac1In1Li2 |
Band
|
|
Ac1In1Te2
|
0.380
|
-16.747
|
'Fm-3m' |
225 |
MatHub3d-39-Ac1In1Te2 |
Transport
|
|
Ac1K1Te2
|
0.850
|
-16.605
|
'Fm-3m' |
225 |
MatHub3d-40-Ac1K1Te2 |
Transport
|
|
Ac1La3
|
0
|
-18.269
|
'I4/mmm' |
139 |
MatHub3d-41-Ac1La3 |
Band
|
|
Ac1Li1Te2
|
0.545
|
-17.107
|
'Fm-3m' |
225 |
MatHub3d-42-Ac1Li1Te2 |
Transport
|
|
Ac1Li1Tl2
|
0
|
-11.676
|
'Fm-3m' |
225 |
MatHub3d-43-Ac1Li1Tl2 |
Band
|
|
Ac1Li2Pb1
|
0
|
-12.673
|
'Fm-3m' |
225 |
MatHub3d-44-Ac1Li2Pb1 |
Band
|
|
Ac1Li2Sn1
|
0
|
-13.292
|
'Fm-3m' |
225 |
MatHub3d-45-Ac1Li2Sn1 |
Band
|
|
Ac1Li2Tl1
|
0
|
-10.931
|
'Fm-3m' |
225 |
MatHub3d-46-Ac1Li2Tl1 |
Band
|
|
Ac1Li3
|
0
|
-9.088
|
'I4/mmm' |
139 |
MatHub3d-47-Ac1Li3 |
Band
|
|
Ac1Mg1
|
0
|
-5.740
|
'Pm-3m' |
221 |
MatHub3d-48-Ac1Mg1 |
Band
|
|
Ac1Mg1Tl2
|
0
|
-11.106
|
'Fm-3m' |
225 |
MatHub3d-49-Ac1Mg1Tl2 |
Band
|
|
Ac1Mg2Yb1
|
0
|
-8.828
|
'Fm-3m' |
225 |
MatHub3d-50-Ac1Mg2Yb1 |
Band
|