Materials Library Visualization

"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Cubic" "P4<sub>3</sub>32" "1.5" "1" "1146" "Direct. Calculation" "Cubic" "P4<sub>3</sub>32" "1.56" "1" "1154" "Calculation. VASP (GGA PBEsol)" "Cubic" "P4<sub>3</sub>32" "1.57" "1" "1154" "Calculation. VASP (LDA )" "Cubic" "P4<sub>3</sub>32" "1.59" "1" "1154" "Calculation. VASP (GGA PBE)" "Cubic" "P4<sub>3</sub>32" "1.61" "1" "1154" "Calculation. VASP (GGA PW91 )" "Cubic" "P4<sub>3</sub>32" "1.62" "1" "1154" "Calculation. VASP (GGA AM05)" "Cubic" "P4<sub>3</sub>32" "2.02" "0" "1146" "UV-vis diffuse reflectance spectroscopy" "Cubic" "P4<sub>3</sub>32" "2.15" "1" "1154" "Calculation. VASP (mBJ )"

Chart

X axis: Y axis:

CSV Viewer: Mg3Si6As8

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment
Cubic P4332 1.5 1 1146 Direct. Calculation
Cubic P4332 1.56 1 1154 Calculation. VASP (GGA PBEsol)
Cubic P4332 1.57 1 1154 Calculation. VASP (LDA )
Cubic P4332 1.59 1 1154 Calculation. VASP (GGA PBE)
Cubic P4332 1.61 1 1154 Calculation. VASP (GGA PW91 )
Cubic P4332 1.62 1 1154 Calculation. VASP (GGA AM05)
Cubic P4332 2.02 0 1146 UV-vis diffuse reflectance spectroscopy
Cubic P4332 2.15 1 1154 Calculation. VASP (mBJ )