Structure

Basic information

Pretty formulaFeBr2
Full formulaFe1Br2
TagsIron bromide
Constituent elementsBr; Fe;
Number of elements2
Number of sites3
Volume78.93029 Å3
Density4.53692 g/cm3
Source Materials Project

Space group

Spacegroup Number164
Hermann MauguinP-3m1
Hall-P 3 2"
Crystal SystemHexagonal

Lattice Parameters

a3.728 Å b3.728 Å c6.558 Å
α90.000° β90.000° γ120.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-13.04169 eV -4.34723 eV -0.44194 eV 0.53770 eV 4.00000 eV 0.00000 eV