Structure

Basic information

Pretty formulaCa3PCl3
Full formulaCa3P1Cl3
TagsTricalcium phosphide trichloride
Constituent elementsCa; Cl; P;
Number of elements3
Number of sites7
Volume186.48080 Å3
Density2.29353 g/cm3
Source Materials Project

Space group

Spacegroup Number221
Hermann MauguinPm-3m
Hall-P 4 2 3
Crystal SystemCubic

Lattice Parameters

a5.713 Å b5.713 Å c5.713 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-31.04544 eV -4.43506 eV -2.26894 eV 1.84190 eV 0.00000 eV 0.00000 eV