Materials Library Visualization

"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Orthorhombic" "Cmc2<sub>1</sub>" "7.05" "1" "974" "Calculation. CASTEP" "Orthorhombic" "Cmc2<sub>1</sub>" "7.05" "1" "1639" "Calculation. CASTEP (GGA)" "Orthorhombic" "Cmc2<sub>1</sub>" "8.75" "1" "1311" "Calculation. CASTEP" "Orthorhombic" "Cmc2<sub>1</sub>" "8.75" "1" "1639" "Calculation. CASTEP (HSE06)"

Chart

X axis: Y axis:

CSV Viewer: CaB5O7F3

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment
Orthorhombic Cmc21 7.05 1 974 Calculation. CASTEP
Orthorhombic Cmc21 7.05 1 1639 Calculation. CASTEP (GGA)
Orthorhombic Cmc21 8.75 1 1311 Calculation. CASTEP
Orthorhombic Cmc21 8.75 1 1639 Calculation. CASTEP (HSE06)