Structure

Basic information

Pretty formulaNbCu3Se4
Full formulaNb1Cu3Se4
TagsTricopper(I) niobium selenide;
Copper niobium selenide (3/1/4);
Tricopper(I) tetraselenoniobate(V)
Constituent elementsCu; Nb; Se;
Number of elements3
Number of sites8
Volume186.21336 Å3
Density5.34495 g/cm3
Source Materials Project

Space group

Spacegroup Number215
Hermann MauguinP-43m
HallP -4 2 3
Crystal SystemCubic

Lattice Parameters

a5.710 Å b5.710 Å c5.710 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-40.49200 eV -5.06150 eV -0.51519 eV 1.36040 eV 0.00000 eV 0.00000 eV