Structure

Basic information

Pretty formulaCsVZn(PO3)6
Full formulaCs2V2Zn2P12O36
Tags
Constituent elementsCs; O; P; V; Zn;
Number of elements5
Number of sites54
Volume985.05759 Å3
Density2.43786 g/cm3
Source Materials Project

Space group

Spacegroup Number12
Hermann MauguinC2/m
Hall-C 2y
Crystal SystemMonoclinic

Lattice Parameters

a13.678 Å b10.294 Å c10.294 Å
α81.343° β56.578° γ56.578°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-342.50044 eV -6.34260 eV -1.96657 eV 0.00440 eV 1.77531 eV 0.63321 eV