CaO

Compound Formula
CaO
Name
CaO
# Atoms
8
Stoichiometry
Unit Cell
a
4.8069
b
4.8069
c
4.8069
alpha
90.0
beta
90.0
gamma
90.0
Space Group
225 (F m -3 m)
Energy (eV)
-20237.404888
Energy Method
Crystal - PBE (Light)
k-points
[4, 4, 4]
Status
Calculated
ID
5d78d319b9587dabd25d7058
Data Modified
11/09/2019 11:00:37
Metadata Modified
07/05/2020 16:39:58

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Related Bulk Structures

Status
ThumbnailStatusEnergy (eV)Energy CalculationEnergy Methodk-points
Chemical structure of CaOCalculated-20237.291701N/ACrystal - PBE (Light)[3, 3, 3]
Chemical structure of CaOBest Calculated-20452.260651N/ACrystal - PBE (Tight)[4, 4, 4]
Chemical structure of CaOCalculated-20237.421437N/ACrystal - PBE (Light)[5, 5, 5]
Chemical structure of CaOBest Calculated-20237.424812N/ACrystal - PBE (Light)[6, 6, 6]