Structure

Basic information

Pretty formulaLiHCO2
Full formulaLi16H16C16O32
TagsLithium formate
Constituent elementsC; H; Li; O;
Number of elements4
Number of sites80
Volume1,009.83336 Å3
Density1.36702 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a8.638 Å b8.638 Å c13.775 Å
α82.433° β97.567° γ89.987°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-498.96365 eV -6.23705 eV -1.66894 eV 5.02430 eV 0.00000 eV 0.10432 eV