MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Pd4Sr2
|
0
|
-20.218
|
'Fd-3m' |
227 |
MatHub3d-71859-Pd4Sr2 |
Band
|
|
Pd5Sr1
|
0
|
-20.204
|
'P6/mmm' |
191 |
MatHub3d-71866-Pd5Sr1 |
Band
|
|
Pd2Ta1
|
0
|
-17.901
|
'Immm' |
71 |
MatHub3d-71774-Pd2Ta1 |
Band
|
|
Pd3Ta1
|
0
|
-21.733
|
'I4/mmm' |
139 |
MatHub3d-71808-Pd3Ta1 |
Band
|
|
Pd3Tb3Tl3
|
0
|
-36.082
|
'P-62m' |
189 |
MatHub3d-71811-Pd3Tb3Tl3 |
Band
|
|
Pd4Th4
|
0
|
-48.579
|
'Pnma' |
62 |
MatHub3d-71862-Pd4Th4 |
Band
|
|
Pd2Th4
|
0
|
-39.255
|
'I4/mcm' |
140 |
MatHub3d-71778-Pd2Th4 |
Band
|
|
Pd5Th3
|
0
|
-43.161
|
'P-62m' |
189 |
MatHub3d-71867-Pd5Th3 |
Band
|
|
Pd1Ti1
|
0
|
-8.892
|
'Pm-3m' |
221 |
MatHub3d-71719-Pd1Ti1 |
Band
|
|
Pd3Ti1
|
0
|
-17.000
|
'Pm-3m' |
221 |
MatHub3d-71814-Pd3Ti1 |
Band
|
|
Pd5Ti3
|
0
|
-35.389
|
'P4/mmm' |
123 |
MatHub3d-71868-Pd5Ti3 |
Band
|
|
Pd3Tl1
|
0
|
-13.111
|
'I4/mmm' |
139 |
MatHub3d-71815-Pd3Tl1 |
Band
|
|
Pd3Tl3Y3
|
0
|
-41.765
|
'P-62m' |
189 |
MatHub3d-71817-Pd3Tl3Y3 |
Band
|
|
Pd3Tl3Yb3
|
0
|
-27.130
|
'P-62m' |
189 |
MatHub3d-71818-Pd3Tl3Yb3 |
Band
|
|
Pd12U4
|
0
|
-92.007
|
'P6_3/mmc' |
194 |
MatHub3d-71908-Pd12U4 |
Band
|
|
Pd2V6
|
0
|
-44.424
|
'Pm-3n' |
223 |
MatHub3d-71787-Pd2V6 |
Band
|
|
Pd2V1
|
0
|
-13.785
|
'Immm' |
71 |
MatHub3d-71786-Pd2V1 |
Band
|
|
Pd3V1
|
0
|
-17.321
|
'I4/mmm' |
139 |
MatHub3d-71821-Pd3V1 |
Band
|
|
Pd3Y1
|
0
|
-19.890
|
'Pm-3m' |
221 |
MatHub3d-71823-Pd3Y1 |
Band
|
|
Pd1Zn1
|
0.035
|
-5.011
|
'P4/mmm' |
123 |
MatHub3d-71723-Pd1Zn1 |
Band
|
|
Pd1Zr2
|
0
|
-21.699
|
'I4/mmm' |
139 |
MatHub3d-71726-Pd1Zr2 |
Band
|
|
Pd12Zr4
|
0
|
-86.081
|
'P6_3/mmc' |
194 |
MatHub3d-71909-Pd12Zr4 |
Band
|
|
Pm1Po1
|
0
|
-9.859
|
'Fm-3m' |
225 |
MatHub3d-71932-Pm1Po1 |
Band
|
|
Po2Sc2
|
0
|
-19.234
|
'P6_3/mmc' |
194 |
MatHub3d-71976-Po2Sc2 |
Band
|
|
Po1Sm1
|
0
|
-9.760
|
'Fm-3m' |
225 |
MatHub3d-71969-Po1Sm1 |
Band
|