MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ac2Cd6
|
0
|
-12.078
|
'P6_3/mmc' |
194 |
MatHub3d-77-Ac2Cd6 |
Band
|
|
Ac2Cl2O2
|
4.449
|
-40.652
|
'P4/nmm' |
129 |
MatHub3d-78-Ac2Cl2O2 |
Transport
|
|
Ac2Cl6
|
5.093
|
-39.077
|
'P6_3/m' |
176 |
MatHub3d-79-Ac2Cl6 |
Transport
|
|
Ac2Cu1Ga1
|
0
|
-14.364
|
'Fm-3m' |
225 |
MatHub3d-80-Ac2Cu1Ga1 |
Band
|
|
Ac2Cu1Ge1
|
0
|
-16.495
|
'Fm-3m' |
225 |
MatHub3d-81-Ac2Cu1Ge1 |
Band
|
|
Ac2Cu1Ir1
|
0
|
-17.918
|
'Fm-3m' |
225 |
MatHub3d-82-Ac2Cu1Ir1 |
Band
|
|
Ac2Cu1Si1
|
0
|
-16.999
|
'Fm-3m' |
225 |
MatHub3d-83-Ac2Cu1Si1 |
Band
|
|
Ac2Cu1Sn1
|
0
|
-15.734
|
'Fm-3m' |
225 |
MatHub3d-84-Ac2Cu1Sn1 |
Band
|
|
Ac2Ga1Li1
|
0
|
-13.708
|
'Fm-3m' |
225 |
MatHub3d-85-Ac2Ga1Li1 |
Band
|
|
Ac2Ga1Zn1
|
0
|
-12.607
|
'Fm-3m' |
225 |
MatHub3d-86-Ac2Ga1Zn1 |
Band
|
|
Ac2Ga6
|
0
|
-29.520
|
'P6_3/mmc' |
194 |
MatHub3d-87-Ac2Ga6 |
Band
|
|
Ac2Ge1Hg1
|
0
|
-14.864
|
'Fm-3m' |
225 |
MatHub3d-88-Ac2Ge1Hg1 |
Band
|
|
Ac2Ge1Li1
|
0
|
-15.755
|
'Fm-3m' |
225 |
MatHub3d-89-Ac2Ge1Li1 |
Band
|
|
Ac2Ge1Ni1
|
0
|
-16.396
|
'Fm-3m' |
225 |
MatHub3d-90-Ac2Ge1Ni1 |
Band
|
|
Ac2Ge1Pd1
|
0
|
-18.617
|
'Fm-3m' |
225 |
MatHub3d-91-Ac2Ge1Pd1 |
Band
|
|
Ac2Ge1Zn1
|
0
|
-14.578
|
'Fm-3m' |
225 |
MatHub3d-92-Ac2Ge1Zn1 |
Band
|
|
Ac2Ge6
|
0
|
-38.713
|
'P6_3/mmc' |
194 |
MatHub3d-93-Ac2Ge6 |
Band
|
|
Ac2Hg1Si1
|
0
|
-15.306
|
'Fm-3m' |
225 |
MatHub3d-94-Ac2Hg1Si1 |
Band
|
|
Ac2Hg1Sn1
|
0
|
-14.335
|
'Fm-3m' |
225 |
MatHub3d-95-Ac2Hg1Sn1 |
Band
|
|
Ac2Hg6
|
0
|
-12.566
|
'P6_3/mmc' |
194 |
MatHub3d-96-Ac2Hg6 |
Band
|
|
Ac2I6
|
2.590
|
-29.412
|
'P6_3/mmc' |
194 |
MatHub3d-97-Ac2I6 |
Transport
|
|
Ac2In6
|
0
|
-26.215
|
'P6_3/mmc' |
194 |
MatHub3d-98-Ac2In6 |
Band
|
|
Ac2Ir1Li1
|
0
|
-17.234
|
'Fm-3m' |
225 |
MatHub3d-99-Ac2Ir1Li1 |
Band
|
|
Ac2Ir1Ni1
|
0
|
-23.740
|
'Fm-3m' |
225 |
MatHub3d-100-Ac2Ir1Ni1 |
Band
|
|
Ac2Ir1Pd1
|
0
|
-20.099
|
'Fm-3m' |
225 |
MatHub3d-101-Ac2Ir1Pd1 |
Band
|