Structure

Basic information

Pretty formulaH12WN3(OF)3
Full formulaH12W1N3O3F3
Tags
Constituent elementsF; H; N; O; W;
Number of elements5
Number of sites22
Volume240.30712 Å3
Density2.36980 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a7.353 Å b6.773 Å c6.870 Å
α64.795° β53.958° γ62.895°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-114.74032 eV -5.21547 eV -1.20166 eV 3.65720 eV 0.00000 eV 0.15835 eV