NaCl

Compound Formula
NaCl
Name
Sodium chloride
# Atoms
8
Stoichiometry
Unit Cell
a
5.0654
b
5.0654
c
5.0654
alpha
90.0
beta
90.0
gamma
90.0
Space Group
225 (F m -3 m)
Energy (eV)
-16714.689239
Energy Method
Crystal - PBE (Light)
k-points
[4, 4, 4]
Status
Calculated
ID
5d543fa570da7d0011a993a5
Data Modified
14/08/2019 17:07:50
Metadata Modified
07/05/2020 16:39:58

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Related Bulk Structures

Status
ThumbnailStatusEnergy (eV)Energy Methodk-points
Chemical structure of Sodium chloridePublished
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 chlorideBest Calculated-16716.013012Crystal - PBE + Dispersion (Light)[5, 5, 5]
Chemical structure of Sodium chlorideBest Calculated-16714.689375Crystal - PBE (Light)[5, 5, 5]