Materials Library Visualization

"CrystalSystem" "SpaceGroup" "E<sub>g</sub>" "IsCalculated" "ReferenceId" "Comment" "Orthorhombic" "Pmn2<sub>1</sub>" "0.449" "1" "1820" "Calculation. WIEN2K. GGA" "Orthorhombic" "Pmn2<sub>1</sub>" "0.883" "1" "1820" "Calculation. WIEN2K. GGA+U" "Orthorhombic" "Pmn2<sub>1</sub>" "0.946" "1" "1820" "Calculation. WIEN2K. TB-mBJ" "Orthorhombic" "Pmn2<sub>1</sub>" "1.647" "1" "1820" "Calculation. WIEN2K. TB-mBJ+U+SOC" "Orthorhombic" "Pmn2<sub>1</sub>" "1.674" "1" "1820" "Calculation. WIEN2K. TB-mBJ+U"

Chart

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CSV Viewer: Cu2HgGeS4

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment
Orthorhombic Pmn21 0.449 1 1820 Calculation. WIEN2K. GGA
Orthorhombic Pmn21 0.883 1 1820 Calculation. WIEN2K. GGA+U
Orthorhombic Pmn21 0.946 1 1820 Calculation. WIEN2K. TB-mBJ
Orthorhombic Pmn21 1.647 1 1820 Calculation. WIEN2K. TB-mBJ+U+SOC
Orthorhombic Pmn21 1.674 1 1820 Calculation. WIEN2K. TB-mBJ+U