NaCl

Compound Formula
NaCl
Name
Sodium chloride
# Atoms
8
Stoichiometry
Unit Cell
a
5.0197
b
5.0197
c
5.0197
alpha
90.0
beta
90.0
gamma
90.0
Space Group
225 (F m -3 m)
Energy (eV)
-16716.000264
Energy Method
Crystal - PBE + Dispersion (Light)
k-points
[3, 3, 3]
Status
Calculated
ID
5fba7009257ce61c9be29a5a
Data Modified
24/11/2020 17:12:58
Metadata Modified
24/11/2020 17:13:01

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Related Bulk Structures

Status
ThumbnailStatusEnergy (eV)Energy Methodk-points
Chemical structure of Sodium chloridePublished
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]