Structure

Basic information

Pretty formulaLi10Si(PS6)2
Full formulaLi20Si2P4S24
Tags
Constituent elementsLi; P; S; Si;
Number of elements4
Number of sites50
Volume984.02720 Å3
Density1.83675 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.583 Å b8.864 Å c12.942 Å
α91.864° β90.635° γ90.310°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-220.00991 eV -4.40020 eV -1.32431 eV 2.56380 eV -0.00001 eV 0.00000 eV