Detail information of MnH(CO)4

Structure

Basic information

Pretty formulaMnH(CO)4
Full formulaMn6H6C24O24
TagsDodecacarbonyltrihydrogentrimanganese
Constituent elementsC; H; Mn; O;
Number of elements4
Number of sites60
Volume917.08566 Å3
Density1.82501 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.284 Å b14.937 Å c9.120 Å
α105.467° β118.409° γ96.569°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-427.14851 eV -7.11914 eV -0.66383 eV 2.79400 eV 0.00157 eV 0.69348 eV