Materials Library Visualization

"E<sub>g</sub>" "IsCalculated" "ReferenceId" "CrystalSystem" "SpaceGroup" "Comment" "0.28" "0" "45" "" "" "" "0.53" "1" "1019" "Monoclinic" "C2/c" "Calculation. CASTEP-PBE" "1.76" "1" "1019" "Monoclinic" "C2/c" "Calculation. CASTEP-HSE" "0.51" "1" "1019" "Monoclinic" "Cc" "Calculation. CASTEP-PBE" "1.83" "1" "1019" "Monoclinic" "Cc" "Calculation. CASTEP-HSE" "0.47" "1" "1019" "Triclinic" "P1(-)" "Calculation. CASTEP-PBE" "1.6" "1" "1019" "Triclinic" "P1(-)" "Calculation. CASTEP-HSE"

Chart

X axis: Y axis:

CSV Viewer: MnP4

Eg IsCalculated ReferenceId CrystalSystem SpaceGroup Comment
0.28 0 45
0.53 1 1019 Monoclinic C2/c Calculation. CASTEP-PBE
1.76 1 1019 Monoclinic C2/c Calculation. CASTEP-HSE
0.51 1 1019 Monoclinic Cc Calculation. CASTEP-PBE
1.83 1 1019 Monoclinic Cc Calculation. CASTEP-HSE
0.47 1 1019 Triclinic P1(-) Calculation. CASTEP-PBE
1.6 1 1019 Triclinic P1(-) Calculation. CASTEP-HSE