Detail information of Li3P11(H3N)17

Structure

Basic information

Pretty formulaLi3P11(H3N)17
Full formulaLi6P22H102N34
TagsTris(tetraamminelithium) undecaphosphide - ammonia (1/5)
Constituent elementsH; Li; N; P;
Number of elements4
Number of sites164
Volume1,845.39150 Å3
Density1.17168 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a11.990 Å b12.584 Å c12.597 Å
α89.962° β80.133° γ80.351°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-815.11721 eV -4.97023 eV -0.51166 eV 1.96680 eV 0.00000 eV 0.00000 eV