Structure

Basic information

Pretty formulaNa3CaAl3Si3SO16
Full formulaNa6Ca2Al6Si6S2O32
Tags
Constituent elementsAl; Ca; Na; O; S; Si;
Number of elements6
Number of sites54
Volume742.72062 Å3
Density2.51434 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a7.854 Å b7.829 Å c15.689 Å
α109.279° β109.609° γ109.510°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-374.30640 eV -6.93160 eV -3.03097 eV 3.78230 eV 0.00000 eV 0.03105 eV