Materials Library Visualization

"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Triclinic" "P1(-)" "6.06" "1" "1023" "Indirect. Calculation. CASTEP-GGA" "Triclinic" "P1(-)" "6.13" "1" "1767" "Indirect. Calculation. CASTEP (GGA)" "Triclinic" "P1(-)" "7.29" "1" "1767" "Indirect. Calculation. CASTEP (HSE06)" "Triclinic" "P1(-)" "7.72" "1" "1311" "Calculation. CASTEP" "Triclinic" "P1(-)" "7.72" "1" "1023" "Indirect. Calculation. CASTEP-HSE06"

Chart

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CSV Viewer: CaB4O6F2

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment
Triclinic P1(-) 6.06 1 1023 Indirect. Calculation. CASTEP-GGA
Triclinic P1(-) 6.13 1 1767 Indirect. Calculation. CASTEP (GGA)
Triclinic P1(-) 7.29 1 1767 Indirect. Calculation. CASTEP (HSE06)
Triclinic P1(-) 7.72 1 1311 Calculation. CASTEP
Triclinic P1(-) 7.72 1 1023 Indirect. Calculation. CASTEP-HSE06