MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Al3Ni3Tb3
|
0
|
-37.244
|
'P-62m' |
189 |
MatHub3d-3059-Al3Ni3Tb3 |
Band
|
|
Al4Ni12Y6
|
0
|
-93.728
|
'Im-3m' |
229 |
MatHub3d-3684-Al4Ni12Y6 |
Band
|
|
Al3Pd2Sm1
|
0
|
-27.542
|
'P6/mmm' |
191 |
MatHub3d-3072-Al3Pd2Sm1 |
Band
|
|
O1Pt1
|
0
|
-8.019
|
'Fm-3m' |
225 |
MatHub3d-68154-O1Pt1 |
Band
|
|
Os4Pr2
|
0
|
-42.419
|
'Fd-3m' |
227 |
MatHub3d-71176-Os4Pr2 |
Band
|
|
Os4Pu2
|
0
|
-58.607
|
'Fd-3m' |
227 |
MatHub3d-71177-Os4Pu2 |
Band
|
|
Os6Pu10
|
0
|
-187.789
|
'I4/mcm' |
140 |
MatHub3d-71186-Os6Pu10 |
Band
|
|
Os4Th2
|
0
|
-49.175
|
'Fd-3m' |
227 |
MatHub3d-71183-Os4Th2 |
Band
|
|
Os1Ti1
|
0
|
-14.486
|
'Pm-3m' |
221 |
MatHub3d-71135-Os1Ti1 |
Band
|
|
Os4U2
|
0
|
-55.659
|
'Fd-3m' |
227 |
MatHub3d-71184-Os4U2 |
Band
|
|
P1Sc1
|
0
|
-13.405
|
'Fm-3m' |
225 |
MatHub3d-71220-P1Sc1 |
Band
|
|
Pa1Rh3
|
0
|
-25.191
|
'Pm-3m' |
221 |
MatHub3d-71491-Pa1Rh3 |
Band
|
|
Pb1Pd2Y1
|
0
|
-19.535
|
'Fm-3m' |
225 |
MatHub3d-71527-Pb1Pd2Y1 |
Band
|
|
Pb1Pr3
|
0
|
-19.133
|
'Pm-3m' |
221 |
MatHub3d-71534-Pb1Pr3 |
Band
|
|
Pb2Pt2
|
0
|
-16.143
|
'P6_3/mmc' |
194 |
MatHub3d-71574-Pb2Pt2 |
Band
|
|
Pb1Pt3
|
0
|
-15.984
|
'Pm-3m' |
221 |
MatHub3d-71537-Pb1Pt3 |
Band
|
|
Pb8Pt2
|
0
|
-37.822
|
'P4/nbm' |
125 |
MatHub3d-71650-Pb8Pt2 |
Band
|
|
Pb3Rh3
|
0
|
-23.555
|
'P6/mmm' |
191 |
MatHub3d-71606-Pb3Rh3 |
Band
|
|
Pb4Rh2
|
0
|
-22.863
|
'I4/mcm' |
140 |
MatHub3d-71622-Pb4Rh2 |
Band
|
|
Pb10Rh8
|
0
|
-69.998
|
'Fmmm' |
69 |
MatHub3d-71662-Pb10Rh8 |
Band
|
|
Pb6Sc10
|
0
|
-79.107
|
'P6_3/mcm' |
193 |
MatHub3d-71643-Pb6Sc10 |
Band
|
|
Pb2Sr2
|
0
|
-12.591
|
'Cmcm' |
63 |
MatHub3d-71592-Pb2Sr2 |
Band
|
|
Pb4Sr8
|
0
|
-33.919
|
'Pnma' |
62 |
MatHub3d-71636-Pb4Sr8 |
Band
|
|
Pb3Sr1
|
0
|
-13.759
|
'Pm-3m' |
221 |
MatHub3d-71609-Pb3Sr1 |
Band
|
|
Pb3Tb1
|
0
|
-16.415
|
'Pm-3m' |
221 |
MatHub3d-71610-Pb3Tb1 |
Band
|