Detail information of H18RuN5(ClO)2

Structure

Basic information

Pretty formulaH18RuN5(ClO)2
Full formulaH72Ru4N20Cl8O8
TagsDi-mue-amido-bis(tetraammineruthenium(III)) chloride tetrahydrate
Constituent elementsCl; H; N; O; Ru;
Number of elements5
Number of sites112
Volume1,063.56242 Å3
Density1.82454 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a9.994 Å b10.166 Å c10.624 Å
α90.000° β99.816° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-556.05115 eV -4.96474 eV -0.73908 eV 1.24950 eV 0.00000 eV 0.08462 eV