Detail information of Rb2FeH2C5(N3O)2

Structure

Basic information

Pretty formulaRb2FeH2C5(N3O)2
Full formulaRb8Fe4H8C20N24O8
TagsDirubidium nitrosylpentacyanoferrate(II) hydrate
Constituent elementsC; Fe; H; N; O; Rb;
Number of elements6
Number of sites72
Volume1,233.28065 Å3
Density2.18064 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a8.711 Å b8.711 Å c18.254 Å
α73.209° β106.791° γ107.530°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-485.23629 eV -6.73939 eV -0.27012 eV 2.78140 eV 0.00008 eV 0.43036 eV