Structure

Basic information

Pretty formulaZrCrCu2(PO4)3
Full formulaZr2Cr2Cu4P6O24
Tags
Constituent elementsCr; Cu; O; P; Zr;
Number of elements5
Number of sites38
Volume502.06327 Å3
Density3.67274 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.869 Å b8.943 Å c8.940 Å
α60.538° β59.555° γ60.095°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-503.34534 eV -5.99221 eV -1.00899 eV 2.74460 eV 12.00001 eV 0.11544 eV