Materials Library Visualization

"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Temperature" "Monoclinic" "P2<sub>1</sub>/c" "2.54" "1" "1839" "Indirect. Calculation. CASTEP. GGA" "" "Monoclinic" "P2<sub>1</sub>/c" "3.538" "1" "1839" "Indirect. Calculation. CASTEP. HSE06" "" "Monoclinic" "P2<sub>1</sub>/c" "3.96" "0" "1839" "UV-vis diffuse reflectance spectroscopy" "298"

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CSV Viewer: NaBaBS3

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment Temperature
Monoclinic P21/c 2.54 1 1839 Indirect. Calculation. CASTEP. GGA
Monoclinic P21/c 3.538 1 1839 Indirect. Calculation. CASTEP. HSE06
Monoclinic P21/c 3.96 0 1839 UV-vis diffuse reflectance spectroscopy 298