MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ag1C1
|
0
|
-5.304
|
'F-43m' |
216 |
MatHub3d-183-Ag1C1 |
Band
|
|
Ag1C1N1
|
4.366
|
-17.218
|
'R3m' |
160 |
MatHub3d-184-Ag1C1N1 |
Transport
|
|
Ag1C1N1O1
|
0
|
-13.975
|
'Cmmm' |
65 |
MatHub3d-185-Ag1C1N1O1 |
Band
|
|
Ag1C2K1
|
2.844
|
-18.973
|
'P4/mmm' |
123 |
MatHub3d-186-Ag1C2K1 |
Transport
|
|
Ag1C2Li1
|
1.956
|
-19.761
|
'P-6m2' |
187 |
MatHub3d-187-Ag1C2Li1 |
Transport
|
|
Ag1Ca1P1
|
0
|
-8.657
|
'F-43m' |
216 |
MatHub3d-189-Ag1Ca1P1 |
Band
|
|
Ag1Ca2Ge1
|
0
|
-11.188
|
'Fm-3m' |
225 |
MatHub3d-190-Ag1Ca2Ge1 |
Band
|
|
Ag1Ca2Pb1
|
0
|
-10.160
|
'Fm-3m' |
225 |
MatHub3d-191-Ag1Ca2Pb1 |
Band
|
|
Ag1Ca2Sn1
|
0
|
-10.619
|
'Fm-3m' |
225 |
MatHub3d-192-Ag1Ca2Sn1 |
Band
|
|
Ag1Cd1
|
0
|
-1.301
|
'Pm-3m' |
221 |
MatHub3d-193-Ag1Cd1 |
Band
|
|
Ag1Cd1Lu2
|
0
|
-11.035
|
'Fm-3m' |
225 |
MatHub3d-194-Ag1Cd1Lu2 |
Band
|
|
Ag1Cd1Pd2
|
0
|
-9.053
|
'Fm-3m' |
225 |
MatHub3d-195-Ag1Cd1Pd2 |
Band
|
|
Ag1Cd1Pr2
|
0
|
-11.602
|
'Fm-3m' |
225 |
MatHub3d-196-Ag1Cd1Pr2 |
Band
|
|
Ag1Cd1Sb1
|
0
|
-5.306
|
'F-43m' |
216 |
MatHub3d-197-Ag1Cd1Sb1 |
Band
|
|
Ag1Cd1Sc2
|
0
|
-12.240
|
'Fm-3m' |
225 |
MatHub3d-198-Ag1Cd1Sc2 |
Band
|
|
Ag1Cd2Ce1
|
0
|
-5.508
|
'Fm-3m' |
225 |
MatHub3d-199-Ag1Cd2Ce1 |
Band
|
|
Ag1Cd2Li1
|
0.036
|
-4.142
|
'Fm-3m' |
225 |
MatHub3d-200-Ag1Cd2Li1 |
Band
|
|
Ag1Cd2Rh1
|
0
|
-5.938
|
'Fm-3m' |
225 |
MatHub3d-201-Ag1Cd2Rh1 |
Band
|
|
Ag1Ce1
|
0
|
-4.361
|
'Pm-3m' |
221 |
MatHub3d-202-Ag1Ce1 |
Band
|
|
Ag1Ce1
|
0
|
-4.462
|
'P4/mmm' |
123 |
MatHub3d-203-Ag1Ce1 |
Band
|
|
Ag1Ce1Hg2
|
0
|
-7.114
|
'Fm-3m' |
225 |
MatHub3d-204-Ag1Ce1Hg2 |
Band
|
|
Ag1Ce1Mg2
|
0
|
-9.244
|
'Fm-3m' |
225 |
MatHub3d-205-Ag1Ce1Mg2 |
Band
|
|
Ag1Ce1Zn2
|
0
|
-7.496
|
'Fm-3m' |
225 |
MatHub3d-206-Ag1Ce1Zn2 |
Band
|
|
Ag1Ce2Pb1
|
0
|
-12.321
|
'Fm-3m' |
225 |
MatHub3d-207-Ag1Ce2Pb1 |
Band
|
|
Ag1Ce5S8
|
0
|
-80.292
|
'I-4' |
82 |
MatHub3d-208-Ag1Ce5S8 |
Band
|