Materials Library Visualization

"CrystalSystem" "StructureType" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Hexagonal" "Cs<sub>3</sub>Cr<sub>2</sub>Cl<sub>9</sub>" "P6<sub>3</sub>/mmc" "0" "1" "1052" "Indirect. Calculation. CASTEP. 22 GPa" "Hexagonal" "Cs<sub>3</sub>Cr<sub>2</sub>Cl<sub>9</sub>" "P6<sub>3</sub>/mmc" "0.3" "1" "1052" "Indirect. Calculation. CASTEP. 16.5 GPa" "Hexagonal" "Cs<sub>3</sub>Cr<sub>2</sub>Cl<sub>9</sub>" "P6<sub>3</sub>/mmc" "0.78" "1" "1052" "Indirect. Calculation. CASTEP. 10.5 GPa" "Hexagonal" "Cs<sub>3</sub>Cr<sub>2</sub>Cl<sub>9</sub>" "P6<sub>3</sub>/mmc" "1.31" "1" "1052" "Indirect. Calculation. CASTEP. 5 GPa" "Hexagonal" "Cs<sub>3</sub>Cr<sub>2</sub>Cl<sub>9</sub>" "P6<sub>3</sub>/mmc" "1.8" "0" "367" "" "Hexagonal" "Cs<sub>3</sub>Cr<sub>2</sub>Cl<sub>9</sub>" "P6<sub>3</sub>/mmc" "1.9" "0" "660" "UV-vis diffuse reflectance spectroscopy" "Hexagonal" "Cs<sub>3</sub>Cr<sub>2</sub>Cl<sub>9</sub>" "P6<sub>3</sub>/mmc" "2.32" "1" "660" "Calculation. DFT Method HSE+SOC"

Chart

X axis: Y axis:

CSV Viewer: Cs3Bi2I9

CrystalSystem StructureType SpaceGroup Eg IsCalculated ReferenceId Comment
Hexagonal Cs3Cr2Cl9 P63/mmc 0 1 1052 Indirect. Calculation. CASTEP. 22 GPa
Hexagonal Cs3Cr2Cl9 P63/mmc 0.3 1 1052 Indirect. Calculation. CASTEP. 16.5 GPa
Hexagonal Cs3Cr2Cl9 P63/mmc 0.78 1 1052 Indirect. Calculation. CASTEP. 10.5 GPa
Hexagonal Cs3Cr2Cl9 P63/mmc 1.31 1 1052 Indirect. Calculation. CASTEP. 5 GPa
Hexagonal Cs3Cr2Cl9 P63/mmc 1.8 0 367
Hexagonal Cs3Cr2Cl9 P63/mmc 1.9 0 660 UV-vis diffuse reflectance spectroscopy
Hexagonal Cs3Cr2Cl9 P63/mmc 2.32 1 660 Calculation. DFT Method HSE+SOC