Detail information of H2Ru6(CO)17

Structure

Basic information

Pretty formulaH2Ru6(CO)17
Full formulaH4Ru12C34O34
TagsDi-mue3-hydrido-17-carbonyl-sextetto-ruthenium
Constituent elementsC; H; O; Ru;
Number of elements4
Number of sites84
Volume1,323.15742 Å3
Density2.72233 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.231 Å b11.164 Å c15.522 Å
α93.470° β98.111° γ109.379°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-656.11486 eV -7.81089 eV -0.88521 eV 1.57910 eV 0.00070 eV 0.23616 eV