Materials Library Visualization

"Modification" "CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Temperature" "&alpha;" "Monoclinic" "C2/c" "4.831" "1" "1705" "Indirect. Calculation. VASP (PBE)" "" "&alpha;" "Monoclinic" "C2/c" "6.468" "1" "1705" "Indirect. Calculation. VASP (HSE06)" "" "&beta;" "Hexagonal" "" "6.43" "0" "98" "" "" "&beta;" "Hexagonal" "" "6.2" "0" "72" "" "298" "&gamma;" "Monoclinic" "P2<sub>1</sub>/c" "5.345" "1" "1705" "Indirect. Calculation. VASP (PBE). h.p.-modification" "" "&gamma;" "Monoclinic" "P2<sub>1</sub>/c" "7.045" "1" "1705" "Indirect. Calculation. VASP (HSE06). h.p.-modification" ""

Chart

X axis: Y axis:

CSV Viewer: BaB2O4

Modification CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment Temperature
α Monoclinic C2/c 4.831 1 1705 Indirect. Calculation. VASP (PBE)
α Monoclinic C2/c 6.468 1 1705 Indirect. Calculation. VASP (HSE06)
β Hexagonal 6.43 0 98
β Hexagonal 6.2 0 72 298
γ Monoclinic P21/c 5.345 1 1705 Indirect. Calculation. VASP (PBE). h.p.-modification
γ Monoclinic P21/c 7.045 1 1705 Indirect. Calculation. VASP (HSE06). h.p.-modification