Detail information of KFeC6(NO)3

Structure

Basic information

Pretty formulaKFeC6(NO)3
Full formulaK2Fe2C12N6O6
TagsPotassium tricyanotricarbonylferrate(II)
Constituent elementsC; Fe; K; N; O;
Number of elements5
Number of sites28
Volume559.82290 Å3
Density1.52477 g/cm3
Source Materials Project

Space group

Spacegroup Number148
Hermann MauguinR-3
Hall-R 3
Crystal SystemHexagonal

Lattice Parameters

a13.140 Å b13.140 Å c13.140 Å
α31.809° β31.809° γ31.809°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-207.83844 eV -7.42280 eV -0.37017 eV 4.44610 eV 0.00000 eV 0.42595 eV