Structure

Basic information

Pretty formulaLi2P2H2O7
Full formulaLi12P12H12O42
TagsHexalithium cyclo-hexaphosphate trihydrate
Constituent elementsH; Li; O; P;
Number of elements4
Number of sites78
Volume931.79384 Å3
Density2.02988 g/cm3
Source Materials Project

Space group

Spacegroup Number166
Hermann MauguinR-3m
Hall-R 3 2"
Crystal SystemHexagonal

Lattice Parameters

a10.137 Å b10.137 Å c10.137 Å
α103.860° β103.860° γ103.860°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-491.88297 eV -6.30619 eV -2.40310 eV 5.27910 eV 0.00000 eV 0.02563 eV