Detail information of KLi7(H2N)8

Structure

Basic information

Pretty formulaKLi7(H2N)8
Full formulaK4Li28H64N32
TagsPotassium heptalithium octaamide
Constituent elementsH; K; Li; N;
Number of elements4
Number of sites128
Volume1,202.04055 Å3
Density1.19282 g/cm3
Source Materials Project

Space group

Spacegroup Number88
Hermann MauguinI41/a
HallI 4bw -1bw
Crystal SystemTetragonal

Lattice Parameters

a23.193 Å b23.193 Å c23.193 Å
α161.914° β161.914° γ25.686°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-600.94971 eV -4.69492 eV -0.63503 eV 2.62140 eV 0.00000 eV 0.01825 eV