Structure

Basic information

Pretty formulaReH(CO)4
Full formulaRe20H20C80O80
TagsPenta-mue-hydrido-cyclo-pentakis(tetracarbonylrhenium)
Constituent elementsC; H; O; Re;
Number of elements4
Number of sites200
Volume3,312.47897 Å3
Density3.00032 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.368 Å b18.618 Å c19.542 Å
α77.113° β88.173° γ85.638°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,576.54818 eV -7.88274 eV -0.93094 eV 2.91310 eV 0.00000 eV 0.27374 eV