Detail information of KCa(H2N)3

Structure

Basic information

Pretty formulaKCa(H2N)3
Full formulaK4Ca4H24N12
TagsPotassium calcium amide
Constituent elementsCa; H; K; N;
Number of elements4
Number of sites44
Volume502.87189 Å3
Density1.68070 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a6.684 Å b11.871 Å c6.612 Å
α90.000° β106.556° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-216.24955 eV -4.91476 eV -0.69718 eV 2.19930 eV 0.00000 eV 0.00000 eV