Materials Library Visualization
"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment"
"Orthorhombic" "Pnma" "3.33" "1" "782" "Indirect. Calculation. USPP/CASTEP. GGA-PBEsol"
"Orthorhombic" "Pnma" "3.54" "1" "782" "Indirect. Calculation. PAW/VASP. GGA-PBEsol"
"Orthorhombic" "Pnma" "4.08" "1" "782" "Indirect. Calculation. Norm-conserving/CASTEP. GGA-PBEsol"
"Orthorhombic" "Pnma" "4.4" "0" "782" "Optical"
"Orthorhombic" "Pnma" "4.48" "1" "782" "Indirect. Calculation. PAW/VASP. HSE(15%)"
"Orthorhombic" "Pnma" "4.54" "1" "782" "Indirect. Calculation. PAW/VASP. MetaGGA"
"Orthorhombic" "Pnma" "5.23" "1" "782" "Indirect. Calculation. PAW/VASP. HSE06"
Chart
X axis:
Y axis:
CSV Viewer: LaGaO3
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Orthorhombic | Pnma | 3.33 | 1 | 782 | Indirect. Calculation. USPP/CASTEP. GGA-PBEsol |
| Orthorhombic | Pnma | 3.54 | 1 | 782 | Indirect. Calculation. PAW/VASP. GGA-PBEsol |
| Orthorhombic | Pnma | 4.08 | 1 | 782 | Indirect. Calculation. Norm-conserving/CASTEP. GGA-PBEsol |
| Orthorhombic | Pnma | 4.4 | 0 | 782 | Optical |
| Orthorhombic | Pnma | 4.48 | 1 | 782 | Indirect. Calculation. PAW/VASP. HSE(15%) |
| Orthorhombic | Pnma | 4.54 | 1 | 782 | Indirect. Calculation. PAW/VASP. MetaGGA |
| Orthorhombic | Pnma | 5.23 | 1 | 782 | Indirect. Calculation. PAW/VASP. HSE06 |