Structure

Basic information

Pretty formulaCa(NiP)2
Full formulaCa1Ni2P2
TagsCalcium nickel phosphide (1/2/2);
Calcium dinickel phosphide
Constituent elementsCa; Ni; P;
Number of elements3
Number of sites5
Volume71.62948 Å3
Density5.08649 g/cm3
Source Materials Project

Space group

Spacegroup Number139
Hermann MauguinI4/mmm
Hall-I 4 2
Crystal SystemTetragonal

Lattice Parameters

a3.912 Å b3.912 Å c5.437 Å
α111.085° β111.085° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-28.64247 eV -5.72850 eV -0.85583 eV 0.00000 eV 0.00000 eV 0.00000 eV