MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Te1Tm1
|
0
|
-9.946
|
'Fm-3m' |
225 |
MatHub3d-73858-Te1Tm1 |
Band
|
|
Te1Y1
|
0
|
-12.208
|
'Fm-3m' |
225 |
MatHub3d-73862-Te1Y1 |
Band
|
|
Th1Tl3
|
0
|
-14.759
|
'Pm-3m' |
221 |
MatHub3d-73921-Th1Tl3 |
Band
|
|
Th1Zn4
|
0
|
-10.037
|
'I4/mmm' |
139 |
MatHub3d-73924-Th1Zn4 |
Band
|
|
Ti4Zn8
|
0
|
-24.726
|
'P6_3/mmc' |
194 |
MatHub3d-73947-Ti4Zn8 |
Band
|
|
Ti1Zn3
|
0
|
-6.480
|
'Pm-3m' |
221 |
MatHub3d-73940-Ti1Zn3 |
Band
|
|
Tl1Tm1
|
0
|
-7.283
|
'Pm-3m' |
221 |
MatHub3d-73950-Tl1Tm1 |
Band
|
|
Tl3Tm1
|
0
|
-11.799
|
'Pm-3m' |
221 |
MatHub3d-73956-Tl3Tm1 |
Band
|
|
Tl3U1
|
0
|
-16.839
|
'Pm-3m' |
221 |
MatHub3d-73957-Tl3U1 |
Band
|
|
Tl1Y1
|
0
|
-9.412
|
'Pm-3m' |
221 |
MatHub3d-73951-Tl1Y1 |
Band
|
|
Tl3Y1
|
0
|
-14.045
|
'Pm-3m' |
221 |
MatHub3d-73959-Tl3Y1 |
Band
|
|
Tl1Yb1
|
0.041
|
-4.683
|
'Pm-3m' |
221 |
MatHub3d-73952-Tl1Yb1 |
Band
|
|
Tl3Yb1
|
0
|
-9.199
|
'Pm-3m' |
221 |
MatHub3d-73960-Tl3Yb1 |
Band
|
|
V4Zn5
|
0
|
-27.045
|
'I4/mmm' |
139 |
MatHub3d-73999-V4Zn5 |
Band
|
|
V4Zr2
|
0
|
-41.805
|
'Fd-3m' |
227 |
MatHub3d-74000-V4Zr2 |
Band
|
|
Y1
|
0
|
-6.408
|
'Fm-3m' |
225 |
MatHub3d-74013-Y1 |
Band
|
|
Y1Zn1
|
0
|
-6.857
|
'Fm-3m' |
225 |
MatHub3d-74014-Y1Zn1 |
Band
|
|
Y1Zn1
|
0
|
-7.401
|
'Pm-3m' |
221 |
MatHub3d-74015-Y1Zn1 |
Band
|
|
Y4Zn12
|
0
|
-34.919
|
'Pnma' |
62 |
MatHub3d-74024-Y4Zn12 |
Band
|
|
Y1Zn5
|
0
|
-9.854
|
'P6/mmm' |
191 |
MatHub3d-74016-Y1Zn5 |
Band
|
|
Y1Zn12
|
0
|
-13.111
|
'I4/mmm' |
139 |
MatHub3d-74017-Y1Zn12 |
Band
|
|
Zn1Zr1
|
0
|
-9.376
|
'Pm-3m' |
221 |
MatHub3d-74036-Zn1Zr1 |
Band
|
|
Zn4Zr2
|
0
|
-20.088
|
'Fd-3m' |
227 |
MatHub3d-74040-Zn4Zr2 |
Band
|
|
V1Zn3
|
0
|
-7.771
|
'Pm-3m' |
221 |
MatHub3d-73998-V1Zn3 |
Band
|
|
Al3Pd2U1
|
0
|
-32.276
|
'P6/mmm' |
191 |
MatHub3d-3073-Al3Pd2U1 |
Band
|