Materials Library Visualization

"Temperature" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "CrystalSystem" "SpaceGroup" "Comment" "300" "0.32" "0" "45" "" "" "" "" "0.77" "1" "1019" "Monoclinic" "C2/c" "Calculation. CASTEP-PBE" "" "1.76" "1" "1019" "Monoclinic" "C2/c" "Calculation. CASTEP-HSE" "" "0.87" "1" "1019" "Monoclinic" "P2<sub>1</sub>/c" "Calculation. CASTEP-PBE" "" "2.13" "1" "1019" "Monoclinic" "P2<sub>1</sub>/c" "Calculation. CASTEP-HSE" "" "0.88" "1" "1019" "Orthorhombic" "C222<sub>1</sub>" "Calculation. CASTEP-PBE" "" "1.83" "1" "1019" "Orthorhombic" "C222<sub>1</sub>" "Calculation. CASTEP-HSE"

Chart

X axis: Y axis:

CSV Viewer: FeP4

Temperature Eg IsCalculated ReferenceId CrystalSystem SpaceGroup Comment
300 0.32 0 45
0.77 1 1019 Monoclinic C2/c Calculation. CASTEP-PBE
1.76 1 1019 Monoclinic C2/c Calculation. CASTEP-HSE
0.87 1 1019 Monoclinic P21/c Calculation. CASTEP-PBE
2.13 1 1019 Monoclinic P21/c Calculation. CASTEP-HSE
0.88 1 1019 Orthorhombic C2221 Calculation. CASTEP-PBE
1.83 1 1019 Orthorhombic C2221 Calculation. CASTEP-HSE