Structure

Basic information

Pretty formulaKRe3Os3(Se4Cl3)2
Full formulaK4Re12Os12Se32Cl24
Tags
Constituent elementsCl; K; Os; Re; Se;
Number of elements5
Number of sites84
Volume2,325.13261 Å3
Density5.74994 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a13.270 Å b13.246 Å c13.228 Å
α90.093° β89.999° γ89.999°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-498.49444 eV -5.93446 eV -0.81443 eV 1.30250 eV -0.00012 eV 0.00000 eV