Structure

Basic information

Pretty formulaLiMoH6NO5
Full formulaLi8Mo8H48N8O40
TagsLithium ammonium molybdate hydrate
Constituent elementsH; Li; Mo; N; O;
Number of elements5
Number of sites112
Volume1,304.80546 Å3
Density2.06607 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a8.175 Å b11.234 Å c14.209 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-620.18670 eV -5.53738 eV -1.40901 eV 2.88750 eV 0.00010 eV 0.10858 eV