MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Cd1Pd1
|
0
|
-4.501
|
'P4/mmm' |
123 |
MatHub3d-26761-Cd1Pd1 |
Band
|
|
Cd1Po1
|
0
|
-3.974
|
'F-43m' |
216 |
MatHub3d-26777-Cd1Po1 |
Band
|
|
Cd1Pr1
|
0
|
-5.662
|
'Pm-3m' |
221 |
MatHub3d-26778-Cd1Pr1 |
Band
|
|
Cd2Pr1
|
0
|
-6.346
|
'P-3m1' |
164 |
MatHub3d-27083-Cd2Pr1 |
Band
|
|
Cd1Pt1
|
0.077
|
-5.012
|
'P4/mmm' |
123 |
MatHub3d-26781-Cd1Pt1 |
Band
|
|
Cd1Pt2Zn1
|
0
|
-10.876
|
'P4/mmm' |
123 |
MatHub3d-26785-Cd1Pt2Zn1 |
Band
|
|
Cd1Sc1
|
0
|
-5.934
|
'Pm-3m' |
221 |
MatHub3d-26803-Cd1Sc1 |
Band
|
|
Cd6Sc2
|
0
|
-13.509
|
'P6_3/mmc' |
194 |
MatHub3d-27398-Cd6Sc2 |
Band
|
|
Cd1Sm1
|
0
|
-5.563
|
'Pm-3m' |
221 |
MatHub3d-26811-Cd1Sm1 |
Band
|
|
Cd2Sm1
|
0
|
-6.218
|
'P-3m1' |
164 |
MatHub3d-27106-Cd2Sm1 |
Band
|
|
Cd1Sr1
|
0
|
-2.586
|
'Pm-3m' |
221 |
MatHub3d-26816-Cd1Sr1 |
Band
|
|
Cd2Tb1
|
0
|
-6.092
|
'P6/mmm' |
191 |
MatHub3d-27108-Cd2Tb1 |
Band
|
|
Cd6Tb2
|
0
|
-13.173
|
'Cmcm' |
63 |
MatHub3d-27401-Cd6Tb2 |
Band
|
|
Cd2Ti2
|
0
|
-10.047
|
'P4/nmm' |
129 |
MatHub3d-27113-Cd2Ti2 |
Band
|
|
Cd1Ti2
|
0
|
-9.691
|
'I4/mmm' |
139 |
MatHub3d-26822-Cd1Ti2 |
Band
|
|
Cd2Tm1
|
0
|
-5.892
|
'P-3m1' |
164 |
MatHub3d-27114-Cd2Tm1 |
Band
|
|
Cd6Tm2
|
0
|
-12.708
|
'Cmcm' |
63 |
MatHub3d-27402-Cd6Tm2 |
Band
|
|
Cd1V3
|
0
|
-17.937
|
'Pm-3m' |
221 |
MatHub3d-26831-Cd1V3 |
Band
|
|
Cd1Y1
|
0
|
-7.415
|
'Pm-3m' |
221 |
MatHub3d-26832-Cd1Y1 |
Band
|
|
Cd2Y1
|
0
|
-8.004
|
'P6/mmm' |
191 |
MatHub3d-27117-Cd2Y1 |
Band
|
|
Cd3Y1
|
0.031
|
-8.416
|
'Fm-3m' |
225 |
MatHub3d-27150-Cd3Y1 |
Band
|
|
Cd1Yb1
|
0
|
-2.560
|
'Pm-3m' |
221 |
MatHub3d-26833-Cd1Yb1 |
Band
|
|
Cd2Zr3
|
0
|
-20.362
|
'Pmmm' |
47 |
MatHub3d-27118-Cd2Zr3 |
Band
|
|
Cd3Zr1
|
0
|
-9.816
|
'Pm-3m' |
221 |
MatHub3d-27152-Cd3Zr1 |
Band
|
|
Ce1Co1In5
|
0
|
-21.633
|
'P4/mmm' |
123 |
MatHub3d-27680-Ce1Co1In5 |
Band
|