Detail information of Ru4C12N2O13

Structure

Basic information

Pretty formulaRu4C12N2O13
Full formulaRu16C48N8O52
TagsTetraruthenium nitrido dodecacarbonyl bis(mu2 nitrocarbonyl)
Constituent elementsC; N; O; Ru;
Number of elements4
Number of sites124
Volume2,147.25897 Å3
Density2.42644 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a9.862 Å b14.069 Å c16.675 Å
α97.989° β97.214° γ107.752°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-985.19450 eV -7.94512 eV -0.88995 eV 1.57000 eV 0.00000 eV 0.23510 eV