Structure

Basic information

Pretty formulaNa3Cr2P2O8F3
Full formulaNa9Cr6P6O24F9
Tags
Constituent elementsCr; F; Na; O; P;
Number of elements5
Number of sites54
Volume677.06548 Å3
Density3.08948 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a6.430 Å b6.434 Å c21.227 Å
α116.792° β116.712° γ90.048°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-352.88482 eV -6.53490 eV -2.75004 eV 2.45820 eV 18.00000 eV 0.00000 eV