CaO

Compound Formula
CaO
Name
CaO
# Atoms
8
Stoichiometry
Unit Cell
a
4.807
b
4.807
c
4.807
alpha
90.0
beta
90.0
gamma
90.0
Space Group
225 (F m -3 m)
Energy (eV)
-20237.291701
Energy Method
Crystal - PBE (Light)
k-points
[3, 3, 3]
Status
Calculated
ID
5d78d319b9587dabd25d7056
Data Modified
11/09/2019 10:58:35
Metadata Modified
07/05/2020 16:39:58

More Actions

Download

Related Bulk Structures

Status
ThumbnailStatusEnergy (eV)Energy Methodk-points
Chemical structure of CaOCalculated-20237.404888Crystal - PBE (Light)[4, 4, 4]
Chemical structure of CaOBest Calculated-20452.260651Crystal - PBE (Tight)[4, 4, 4]
Chemical structure of CaOCalculated-20237.421437Crystal - PBE (Light)[5, 5, 5]
Chemical structure of CaOBest Calculated-20237.424812Crystal - PBE (Light)[6, 6, 6]