NaCl

Compound Formula
NaCl
Name
Sodium chloride
# Atoms
8
Stoichiometry
Unit Cell
a
5.6418
b
5.6418
c
5.6418
alpha
90.0
beta
90.0
gamma
90.0
Space Group
225 (F m -3 m)
Energy (eV)
Energy Method
k-points
Status
Published
ID
5d543f5470da7d000fb08dd7
Data Modified
01/10/2020 09:45:50
Metadata Modified
24/11/2020 17:10:55

More Actions

Download

Related Bulk Structures
Status
ThumbnailStatusEnergy (eV)Energy Methodk-points
Chemical structure of Sodium chlorideCalculated-16716.000264Crystal - PBE + Dispersion (Light)[3, 3, 3]
Chemical structure of Sodium chlorideCalculated-16716.012256Crystal - PBE + Dispersion (Light)[4, 4, 4]
Chemical structure of Sodium chlorideCalculated-16714.689239Crystal - PBE (Light)[4, 4, 4]
Chemical structure of Sodium chlorideBest Calculated-16716.013012Crystal - PBE + Dispersion (Light)[5, 5, 5]
Chemical structure of Sodium chlorideBest Calculated-16714.689375Crystal - PBE (Light)[5, 5, 5]