Detail information of H2Ru4(CO)13

Structure

Basic information

Pretty formulaH2Ru4(CO)13
Full formulaH8Ru16C52O52
TagsTridecacarbonyl-di-mue-hydrido-tetrahedro-tetraruthenium
Constituent elementsC; H; O; Ru;
Number of elements4
Number of sites128
Volume2,086.54899 Å3
Density2.45252 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.151 Å b9.248 Å c26.883 Å
α81.856° β88.176° γ67.931°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-990.53361 eV -7.73854 eV -0.91010 eV 1.79790 eV 0.00006 eV 0.22634 eV