Structure

Basic information

Pretty formulaMgCuAs
Full formulaMg2Cu2As2
TagsCopper(I) magnesium arsenide;
Copper magnesium arsenide (1/1/1)
Constituent elementsAs; Cu; Mg;
Number of elements3
Number of sites6
Volume100.93673 Å3
Density5.35564 g/cm3
Source Materials Project

Space group

Spacegroup Number129
Hermann MauguinP4/nmm
HallP 4ab 2ab -1ab
Crystal SystemTetragonal

Lattice Parameters

a4.000 Å b4.000 Å c6.309 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-22.83870 eV -3.80645 eV -0.35629 eV 0.00000 eV 0.00000 eV 0.00535 eV