MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Po1Sr1
|
1.595
|
-7.683
|
'Fm-3m' |
225 |
MatHub3d-71970-Po1Sr1 |
Transport
|
|
Po1Tb1
|
0
|
-9.503
|
'Fm-3m' |
225 |
MatHub3d-71971-Po1Tb1 |
Band
|
|
Po1Tm1
|
0
|
-9.102
|
'Fm-3m' |
225 |
MatHub3d-71972-Po1Tm1 |
Band
|
|
Po1Yb1
|
1.273
|
-7.388
|
'Fm-3m' |
225 |
MatHub3d-71974-Po1Yb1 |
Band
|
|
Po1Zn1
|
0.130
|
-4.022
|
'F-43m' |
216 |
MatHub3d-71975-Po1Zn1 |
Transport
|
|
Pt4Pu2
|
0
|
-44.546
|
'Fd-3m' |
227 |
MatHub3d-72191-Pt4Pu2 |
Band
|
|
Pt3Pu1
|
0
|
-26.805
|
'Pm-3m' |
221 |
MatHub3d-72165-Pt3Pu1 |
Band
|
|
Pt6Pu10
|
0
|
-173.112
|
'P6_3/mcm' |
193 |
MatHub3d-72235-Pt6Pu10 |
Band
|
|
Pt1Sc1
|
0.032
|
-11.462
|
'Pm-3m' |
221 |
MatHub3d-72104-Pt1Sc1 |
Band
|
|
Pt4Sc8
|
0
|
-67.698
|
'Pnma' |
62 |
MatHub3d-72200-Pt4Sc8 |
Band
|
|
Pt3Sc1
|
0
|
-21.006
|
'Pm-3m' |
221 |
MatHub3d-72171-Pt3Sc1 |
Band
|
|
Pt2Sc1Sn1
|
0
|
-20.711
|
'Fm-3m' |
225 |
MatHub3d-72132-Pt2Sc1Sn1 |
Band
|
|
Pt1Sn2
|
0
|
-13.245
|
'Fm-3m' |
225 |
MatHub3d-72117-Pt1Sn2 |
Band
|
|
Pt2Sn8
|
0
|
-41.938
|
'Ccce' |
68 |
MatHub3d-72148-Pt2Sn8 |
Band
|
|
Pt4Sn6
|
0
|
-44.975
|
'P6_3/mmc' |
194 |
MatHub3d-72216-Pt4Sn6 |
Band
|
|
Pt1Sn1Ti1
|
0.726
|
-15.046
|
'F-43m' |
216 |
MatHub3d-72113-Pt1Sn1Ti1 |
Transport
|
|
Pt1Sn1U1
|
0
|
-20.448
|
'F-43m' |
216 |
MatHub3d-72114-Pt1Sn1U1 |
Band
|
|
Pt5Sr1
|
0
|
-24.579
|
'P6/mmm' |
191 |
MatHub3d-72233-Pt5Sr1 |
Band
|
|
Pt4Ta2
|
0
|
-40.677
|
'Cmcm' |
63 |
MatHub3d-72218-Pt4Ta2 |
Band
|
|
Pt6Ta2
|
0
|
-49.683
|
'Pmmn' |
59 |
MatHub3d-72244-Pt6Ta2 |
Band
|
|
Pt12Ta4
|
0
|
-99.457
|
'P2_1/m' |
11 |
MatHub3d-72271-Pt12Ta4 |
Band
|
|
Pt4Tb8
|
0
|
-63.222
|
'Pnma' |
62 |
MatHub3d-72221-Pt4Tb8 |
Band
|
|
Pt2Te2
|
0
|
-15.247
|
'P6_3/mmc' |
194 |
MatHub3d-72152-Pt2Te2 |
Band
|
|
Pt1Ti1
|
0
|
-10.235
|
'Pm-3m' |
221 |
MatHub3d-72121-Pt1Ti1 |
Band
|
|
Pt2Ti6
|
0
|
-40.825
|
'Pm-3n' |
223 |
MatHub3d-72158-Pt2Ti6 |
Band
|