Structure

Basic information

Pretty formulaNb3Zn3N
Full formulaNb12Zn12N4
TagsNiobium zinc nitride (3/3/1)
Constituent elementsN; Nb; Zn;
Number of elements3
Number of sites28
Volume404.14467 Å3
Density8.03599 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.299 Å b8.299 Å c8.299 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
-183.64705 eV -6.55882 eV -0.54210 eV 0.00000 eV 0.00002 eV 0.00000 eV