Detail information of Re5H4(CO)20

Structure

Basic information

Pretty formulaRe5H4(CO)20
Full formulaRe20H16C80O80
TagsTetra-mue-hydrido-cyclo-pentakis(tetracarbonylrhenium)
Constituent elementsC; H; O; Re;
Number of elements4
Number of sites196
Volume4,168.93552 Å3
Density2.38234 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.944 Å b19.675 Å c21.709 Å
α90.000° β101.031° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,557.74699 eV -7.94769 eV -0.92013 eV 2.40200 eV 2.38451 eV 0.29394 eV