Structure

Basic information

Pretty formulaCaSc2O4
Full formulaCa4Sc8O16
TagsCalcium discandium oxide
Constituent elementsCa; O; Sc;
Number of elements3
Number of sites28
Volume337.39267 Å3
Density3.81898 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a3.163 Å b9.536 Å c11.187 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-232.79398 eV -8.31407 eV -3.80084 eV 3.45800 eV 0.00000 eV 0.00000 eV