Structure

Basic information

Pretty formulaHf3Zn3N
Full formulaHf12Zn12N4
TagsHafnium zinc nitride (3/3/1)
Constituent elementsHf; N; Zn;
Number of elements3
Number of sites28
Volume435.33828 Å3
Density11.37754 g/cm3
Source Materials Project

Space group

Spacegroup Number227
Hermann MauguinFd-3m
HallF 4d 2 3 -1d
Crystal SystemCubic

Lattice Parameters

a8.507 Å b8.507 Å c8.507 Å
α60.000° β60.000° γ60.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-188.15448 eV -6.71980 eV -0.77249 eV 0.00000 eV 0.00652 eV 0.00000 eV