MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ac1
|
0
|
-4.048
|
'Fm-3m' |
225 |
MatHub3d-1-Ac1 |
Band
|
|
Ac1Ag1
|
0
|
-5.312
|
'Pm-3m' |
221 |
MatHub3d-2-Ac1Ag1 |
Band
|
|
Ac1Ag1Au2
|
0
|
-9.642
|
'Fm-3m' |
225 |
MatHub3d-3-Ac1Ag1Au2 |
Band
|
|
Ac1Ag1Te2
|
0.082
|
-14.807
|
'Fm-3m' |
225 |
MatHub3d-4-Ac1Ag1Te2 |
Band
|
|
Ac1Ag2Cd1
|
0
|
-6.920
|
'Fm-3m' |
225 |
MatHub3d-5-Ac1Ag2Cd1 |
Band
|
|
Ac1Ag2Sn1
|
0
|
-10.982
|
'Fm-3m' |
225 |
MatHub3d-6-Ac1Ag2Sn1 |
Band
|
|
Ac1Ag2Tl1
|
0
|
-8.903
|
'Fm-3m' |
225 |
MatHub3d-7-Ac1Ag2Tl1 |
Band
|
|
Ac1Au2Bi1
|
0
|
-13.053
|
'Fm-3m' |
225 |
MatHub3d-8-Ac1Au2Bi1 |
Band
|
|
Ac1Au2Hg1
|
0
|
-9.083
|
'Fm-3m' |
225 |
MatHub3d-9-Ac1Au2Hg1 |
Band
|
|
Ac1Au2In1
|
0
|
-15.719
|
'Fm-3m' |
225 |
MatHub3d-10-Ac1Au2In1 |
Band
|
|
Ac1Au2Na1
|
0
|
-10.213
|
'Fm-3m' |
225 |
MatHub3d-11-Ac1Au2Na1 |
Band
|
|
Ac1Au2Pb1
|
0
|
-12.569
|
'Fm-3m' |
225 |
MatHub3d-12-Ac1Au2Pb1 |
Band
|
|
Ac1Au2Sb1
|
0
|
-13.359
|
'Fm-3m' |
225 |
MatHub3d-13-Ac1Au2Sb1 |
Band
|
|
Ac1Au2Sn1
|
0
|
-13.028
|
'Fm-3m' |
225 |
MatHub3d-14-Ac1Au2Sn1 |
Band
|
|
Ac1Au2Tl1
|
0
|
-11.057
|
'Fm-3m' |
225 |
MatHub3d-15-Ac1Au2Tl1 |
Band
|
|
Ac1Au2Zn1
|
0
|
-8.956
|
'Fm-3m' |
225 |
MatHub3d-16-Ac1Au2Zn1 |
Band
|
|
Ac1Ca1Hg2
|
0
|
-8.568
|
'Fm-3m' |
225 |
MatHub3d-17-Ac1Ca1Hg2 |
Band
|
|
Ac1Ca1In2
|
0
|
-12.940
|
'Fm-3m' |
225 |
MatHub3d-18-Ac1Ca1In2 |
Band
|
|
Ac1Ca1Zn2
|
0
|
-7.563
|
'Fm-3m' |
225 |
MatHub3d-19-Ac1Ca1Zn2 |
Band
|
|
Ac1Cd1Hg2
|
0
|
-6.389
|
'Fm-3m' |
225 |
MatHub3d-20-Ac1Cd1Hg2 |
Band
|
|
Ac1Cd1Rh2
|
0
|
-14.121
|
'Fm-3m' |
225 |
MatHub3d-21-Ac1Cd1Rh2 |
Band
|
|
Ac1Cd2Mg1
|
0
|
-7.202
|
'Fm-3m' |
225 |
MatHub3d-22-Ac1Cd2Mg1 |
Band
|
|
Ac1Cd2Yb1
|
0
|
-7.546
|
'Fm-3m' |
225 |
MatHub3d-23-Ac1Cd2Yb1 |
Band
|
|
Ac1Cr1O3
|
1.644
|
-40.051
|
'Pm-3m' |
221 |
MatHub3d-24-Ac1Cr1O3 |
Transport
|
|
Ac1Cu1O3
|
0.031
|
-31.144
|
'Pm-3m' |
221 |
MatHub3d-26-Ac1Cu1O3 |
Band
|