MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ru1Sc1
|
0
|
-11.855
|
'Pm-3m' |
221 |
MatHub3d-72726-Ru1Sc1 |
Band
|
|
Ru2Sn4
|
0
|
-28.147
|
'I4/mcm' |
140 |
MatHub3d-72774-Ru2Sn4 |
Band
|
|
Ru1Ta1
|
0
|
-16.494
|
'P4/mmm' |
123 |
MatHub3d-72735-Ru1Ta1 |
Band
|
|
Ru4Th2
|
0
|
-39.564
|
'Fd-3m' |
227 |
MatHub3d-72814-Ru4Th2 |
Band
|
|
Ru1Ti1
|
0
|
-12.025
|
'Pm-3m' |
221 |
MatHub3d-72740-Ru1Ti1 |
Band
|
|
Ru3U1
|
0
|
-29.682
|
'Pm-3m' |
221 |
MatHub3d-72796-Ru3U1 |
Band
|
|
Ru1V1
|
0
|
-12.672
|
'Pm-3m' |
221 |
MatHub3d-72742-Ru1V1 |
Band
|
|
Ru1Zr1
|
0
|
-15.697
|
'Pm-3m' |
221 |
MatHub3d-72747-Ru1Zr1 |
Band
|
|
S4Sn4
|
0.831
|
-35.714
|
'Pnma' |
62 |
MatHub3d-72917-S4Sn4 |
Transport
|
|
Sb2V6
|
0
|
-46.944
|
'Pm-3n' |
223 |
MatHub3d-73243-Sb2V6 |
Band
|
|
Sb1Yb1
|
0
|
-6.892
|
'Fm-3m' |
225 |
MatHub3d-73219-Sb1Yb1 |
Band
|
|
Sc1Zn1
|
0
|
-6.027
|
'Pm-3m' |
221 |
MatHub3d-73348-Sc1Zn1 |
Band
|
|
Sc1Zn12
|
0
|
-11.123
|
'I4/mmm' |
139 |
MatHub3d-73350-Sc1Zn12 |
Band
|
|
Se1Y1
|
0
|
-13.490
|
'Fm-3m' |
225 |
MatHub3d-73392-Se1Y1 |
Band
|
|
Si2U1
|
0
|
-22.984
|
'P6/mmm' |
191 |
MatHub3d-73553-Si2U1 |
Band
|
|
Sm1Tl1
|
0
|
-7.627
|
'P4/mmm' |
123 |
MatHub3d-73659-Sm1Tl1 |
Band
|
|
Sm1Tl3
|
0
|
-12.427
|
'Pm-3m' |
221 |
MatHub3d-73661-Sm1Tl3 |
Band
|
|
Sm4Tl2
|
0
|
-24.644
|
'P6_3/mmc' |
194 |
MatHub3d-73687-Sm4Tl2 |
Band
|
|
Sm1Zn1
|
0
|
-5.564
|
'Pm-3m' |
221 |
MatHub3d-73667-Sm1Zn1 |
Band
|
|
Sm2Zn4
|
0
|
-12.527
|
'Imma' |
74 |
MatHub3d-73674-Sm2Zn4 |
Band
|
|
Sm1Zn5
|
0
|
-8.086
|
'P6/mmm' |
191 |
MatHub3d-73668-Sm1Zn5 |
Band
|
|
Sm1Zn12
|
0
|
-11.393
|
'I4/mmm' |
139 |
MatHub3d-73669-Sm1Zn12 |
Band
|
|
Sn2Sr2
|
0
|
-13.548
|
'Cmcm' |
63 |
MatHub3d-73711-Sn2Sr2 |
Band
|
|
Sn4Sr8
|
0.158
|
-35.510
|
'Pnma' |
62 |
MatHub3d-73733-Sn4Sr8 |
Transport
|
|
Sn2Ta6
|
0
|
-68.577
|
'Pm-3n' |
223 |
MatHub3d-73713-Sn2Ta6 |
Band
|