Detail information of CoHRu(CO)6

Structure

Basic information

Pretty formulaCoHRu(CO)6
Full formulaCo8H8Ru8C48O48
TagsDodecacarbonyl-di-!-mue-hydrogentetrahedro-dicobalt-dirutheni m
Constituent elementsC; Co; H; O; Ru;
Number of elements5
Number of sites120
Volume1,815.42856 Å3
Density2.40797 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.350 Å b11.611 Å c16.728 Å
α90.000° β91.534° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-888.54452 eV -7.40454 eV -0.83821 eV 2.23210 eV 0.00058 eV 0.31509 eV