Detail information of Li2CuP6H20C2(N3O11)2

Structure

Basic information

Pretty formulaLi2CuP6H20C2(N3O11)2
Full formulaLi2Cu1P6H20C2N6O22
TagsCopper dilithium bis(guanidinium) cyclo-hexaphosphate(V) tetrahydrate
Constituent elementsC; Cu; H; Li; N; O; P;
Number of elements7
Number of sites59
Volume611.80424 Å3
Density2.01792 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.574 Å b9.346 Å c7.628 Å
α108.044° β109.446° γ85.237°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-360.80076 eV -6.11527 eV -1.63324 eV 0.41550 eV -1.00007 eV 0.04746 eV