Detail information of KCr2H(CO)10

Structure

Basic information

Pretty formulaKCr2H(CO)10
Full formulaK4Cr8H4C40O40
TagsPotassium mue-hydride-bis(pentacarbonylchromium)
Constituent elementsC; Cr; H; K; O;
Number of elements5
Number of sites96
Volume1,685.85878 Å3
Density1.67131 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.979 Å b8.586 Å c28.712 Å
α91.275° β94.204° γ100.547°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-683.04496 eV -7.11505 eV -0.69102 eV 0.00700 eV 3.99208 eV 0.72671 eV