MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
In2Nd4Rh4
|
0
|
-47.062
|
'P4/mbm' |
127 |
MatHub3d-55684-In2Nd4Rh4 |
Band
|
|
Co4Sn4Tb4
|
0
|
-55.289
|
'Pnma' |
62 |
MatHub3d-33184-Co4Sn4Tb4 |
Band
|
|
Co4Ho4Sn4
|
0
|
-54.952
|
'Pnma' |
62 |
MatHub3d-32823-Co4Ho4Sn4 |
Band
|
|
Ge2Mn2Y1
|
0
|
-31.068
|
'I4/mmm' |
139 |
MatHub3d-50213-Ge2Mn2Y1 |
Band
|
|
Nd1Se2Tl1
|
1.232
|
-19.465
|
'R-3m' |
166 |
MatHub3d-67135-Nd1Se2Tl1 |
Transport
|
|
Gd1Se2Tl1
|
1.262
|
-19.391
|
'R-3m' |
166 |
MatHub3d-49567-Gd1Se2Tl1 |
Band
|
|
Se2Tb1Tl1
|
1.272
|
-19.358
|
'R-3m' |
166 |
MatHub3d-73407-Se2Tb1Tl1 |
Transport
|
|
Dy1Se2Tl1
|
1.285
|
-19.320
|
'R-3m' |
166 |
MatHub3d-40490-Dy1Se2Tl1 |
Transport
|
|
Ho1Se2Tl1
|
1.264
|
-19.280
|
'R-3m' |
166 |
MatHub3d-54496-Ho1Se2Tl1 |
Transport
|
|
Er1Se2Tl1
|
1.232
|
-19.242
|
'R-3m' |
166 |
MatHub3d-41034-Er1Se2Tl1 |
Transport
|
|
Se2Tl1Yb1
|
0
|
-14.982
|
'R-3m' |
166 |
MatHub3d-73413-Se2Tl1Yb1 |
Band
|
|
Cu2Pb2Y2
|
0
|
-27.176
|
'P6_3mc' |
186 |
MatHub3d-38763-Cu2Pb2Y2 |
Band
|
|
Cu2Pb6Y10
|
0
|
-100.106
|
'P6_3/mcm' |
193 |
MatHub3d-38764-Cu2Pb6Y10 |
Band
|
|
Al8Ti4
|
0
|
-53.113
|
'I4_1/amd' |
141 |
MatHub3d-4401-Al8Ti4 |
Band
|
|
Te1Tm1
|
0
|
-9.735
|
'P4mm' |
99 |
MatHub3d-73859-Te1Tm1 |
Band
|
|
In1La3
|
0
|
-17.782
|
'Pm-3m' |
221 |
MatHub3d-55448-In1La3 |
Band
|
|
B1In1La3
|
0
|
-23.975
|
'Pm-3m' |
221 |
MatHub3d-8469-B1In1La3 |
Band
|
|
Gd1Ni5
|
0
|
-18.218
|
'P6/mmm' |
191 |
MatHub3d-49534-Gd1Ni5 |
Band
|
|
Er1Ge6Mn6
|
0
|
-73.887
|
'P6/mmm' |
191 |
MatHub3d-40922-Er1Ge6Mn6 |
Band
|
|
Ge2Lu1Mn2
|
0
|
-28.804
|
'I4/mmm' |
139 |
MatHub3d-50185-Ge2Lu1Mn2 |
Band
|
|
Ge2Mn2Sm1
|
0
|
-29.469
|
'I4/mmm' |
139 |
MatHub3d-50206-Ge2Mn2Sm1 |
Band
|
|
Sb2Y2Zr2
|
0
|
-43.177
|
'I4/mmm' |
139 |
MatHub3d-73244-Sb2Y2Zr2 |
Band
|
|
Gd2Sb2Zr2
|
0
|
-39.431
|
'I4/mmm' |
139 |
MatHub3d-49680-Gd2Sb2Zr2 |
Band
|
|
Sb2Tm2Zr2
|
0
|
-38.880
|
'I4/mmm' |
139 |
MatHub3d-73241-Sb2Tm2Zr2 |
Band
|
|
Lu2Sb2Zr2
|
0
|
-38.652
|
'I4/mmm' |
139 |
MatHub3d-62349-Lu2Sb2Zr2 |
Band
|