Detail information of LiAsH20(C2O)4

Structure

Basic information

Pretty formulaLiAsH20(C2O)4
Full formulaLi2As2H40C16O8
TagsBis(1,2-dimethoxyethane) lithium arsanide
Constituent elementsAs; C; H; Li; O;
Number of elements5
Number of sites68
Volume729.57998 Å3
Density1.19311 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.202 Å b8.202 Å c12.867 Å
α77.048° β102.952° γ119.201°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-353.87489 eV -5.20404 eV -0.43644 eV 0.37210 eV 4.00000 eV 0.24980 eV