Materials Library Visualization
"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment"
"Tetragonal" "I4/mmm" "0.697" "1" "1821" "Indirect. Calculation. VASP"
"Tetragonal" "I4/mmm" "0.87" "1" "1301" "Indirect. Calculation. VASP. SCAN+Spin-orbit coupling"
"Tetragonal" "I4/mmm" "1.05" "0" "1821" "Indirect. UV-vis diffuse reflectance spectroscopy"
"Tetragonal" "I4/mmm" "1.15" "0" "1301" "Indirect. UV-vis diffuse reflectance spectroscopy"
"Tetragonal" "I4/mmm" "1.25" "1" "1301" "Indirect. Calculation. VASP. HSE06"
"Tetragonal" "I4/mmm" "1.35" "0" "1301" "Direct. UV-vis diffuse reflectance spectroscopy"
"Tetragonal" "I4/mmm" "1.51" "1" "1301" "Direct. Calculation. VASP. SCAN+Spin-orbit coupling"
"Tetragonal" "I4/mmm" "1.95" "1" "1301" "Direct. Calculation. VASP. HSE06"
Chart
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CSV Viewer: Bi4O4SeCl2
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Tetragonal | I4/mmm | 0.697 | 1 | 1821 | Indirect. Calculation. VASP |
| Tetragonal | I4/mmm | 0.87 | 1 | 1301 | Indirect. Calculation. VASP. SCAN+Spin-orbit coupling |
| Tetragonal | I4/mmm | 1.05 | 0 | 1821 | Indirect. UV-vis diffuse reflectance spectroscopy |
| Tetragonal | I4/mmm | 1.15 | 0 | 1301 | Indirect. UV-vis diffuse reflectance spectroscopy |
| Tetragonal | I4/mmm | 1.25 | 1 | 1301 | Indirect. Calculation. VASP. HSE06 |
| Tetragonal | I4/mmm | 1.35 | 0 | 1301 | Direct. UV-vis diffuse reflectance spectroscopy |
| Tetragonal | I4/mmm | 1.51 | 1 | 1301 | Direct. Calculation. VASP. SCAN+Spin-orbit coupling |
| Tetragonal | I4/mmm | 1.95 | 1 | 1301 | Direct. Calculation. VASP. HSE06 |