MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Pt10Ti6
|
0
|
-82.688
|
'Ibam' |
72 |
MatHub3d-72264-Pt10Ti6 |
Band
|
|
Pt8Ti1
|
0
|
-40.200
|
'I4/mmm' |
139 |
MatHub3d-72257-Pt8Ti1 |
Band
|
|
Pt3Tl3
|
0
|
-15.900
|
'P6/mmm' |
191 |
MatHub3d-72181-Pt3Tl3 |
Band
|
|
Pt2U2
|
0
|
-32.242
|
'Cmcm' |
63 |
MatHub3d-72162-Pt2U2 |
Band
|
|
Pt4U2
|
0
|
-42.346
|
'Cmcm' |
63 |
MatHub3d-72226-Pt4U2 |
Band
|
|
Pt6U2
|
0
|
-52.039
|
'P6_3/mmc' |
194 |
MatHub3d-72248-Pt6U2 |
Band
|
|
Pt1V1
|
0
|
-11.250
|
'P4/mmm' |
123 |
MatHub3d-72123-Pt1V1 |
Band
|
|
Pt1V3
|
0
|
-23.882
|
'Pm-3m' |
221 |
MatHub3d-72124-Pt1V3 |
Band
|
|
Pt2V6
|
0
|
-48.306
|
'Pm-3n' |
223 |
MatHub3d-72164-Pt2V6 |
Band
|
|
Pt3V1
|
0
|
-20.138
|
'I4/mmm' |
139 |
MatHub3d-72183-Pt3V1 |
Band
|
|
Pt3V1
|
0
|
-20.356
|
'Pm-3m' |
221 |
MatHub3d-72184-Pt3V1 |
Band
|
|
Pt4Y2
|
0
|
-35.094
|
'Fd-3m' |
227 |
MatHub3d-72227-Pt4Y2 |
Band
|
|
Pt3Y1
|
0.033
|
-22.380
|
'Pm-3m' |
221 |
MatHub3d-72186-Pt3Y1 |
Band
|
|
Pt8Yb6
|
0
|
-55.034
|
'R-3' |
148 |
MatHub3d-72260-Pt8Yb6 |
Band
|
|
Pt1Zn1
|
0.047
|
-5.813
|
'P4/mmm' |
123 |
MatHub3d-72125-Pt1Zn1 |
Band
|
|
Pt3Zn1
|
0
|
-13.850
|
'Pm-3m' |
221 |
MatHub3d-72188-Pt3Zn1 |
Band
|
|
Pt1Zr1
|
0
|
-14.296
|
'Pm-3m' |
221 |
MatHub3d-72127-Pt1Zr1 |
Band
|
|
Pu2Rh4
|
0
|
-43.809
|
'Fd-3m' |
227 |
MatHub3d-72302-Pu2Rh4 |
Band
|
|
Pu1Rh3
|
0
|
-27.973
|
'Pm-3m' |
221 |
MatHub3d-72290-Pu1Rh3 |
Band
|
|
Pu2Ru4
|
0
|
-52.016
|
'Fd-3m' |
227 |
MatHub3d-72303-Pu2Ru4 |
Band
|
|
Pu1S1
|
0
|
-21.665
|
'Fm-3m' |
225 |
MatHub3d-72293-Pu1S1 |
Band
|
|
Pu1Sn3
|
0
|
-27.062
|
'Pm-3m' |
221 |
MatHub3d-72298-Pu1Sn3 |
Band
|
|
Pu2Zn4
|
0
|
-30.331
|
'Fd-3m' |
227 |
MatHub3d-72308-Pu2Zn4 |
Band
|
|
Re8Sc4
|
0
|
-99.902
|
'P6_3/mmc' |
194 |
MatHub3d-72513-Re8Sc4 |
Band
|
|
Re1Ti1
|
0
|
-14.839
|
'Pm-3m' |
221 |
MatHub3d-72481-Re1Ti1 |
Band
|