Structure

Basic information

Pretty formulaLiCaP3H8O13
Full formulaLi2Ca2P6H16O26
TagsDicalcium dilithium cyclo-hexaphosphate octahydrate
Constituent elementsCa; H; Li; O; P;
Number of elements5
Number of sites52
Volume552.96560 Å3
Density2.13809 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.859 Å b10.237 Å c7.313 Å
α105.317° β102.886° γ84.971°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-315.89331 eV -6.07487 eV -2.18745 eV 5.22370 eV 0.00000 eV 0.03623 eV