Detail information of DyFeH8C6(N3O2)2

Structure

Basic information

Pretty formulaDyFeH8C6(N3O2)2
Full formulaDy2Fe2H16C12N12O8
TagsDysprosium hexacyanoferrate(III) tetrakis(dideuteriohydrate)
Constituent elementsC; Dy; Fe; H; N; O;
Number of elements6
Number of sites52
Volume649.23285 Å3
Density2.28408 g/cm3
Source Materials Project

Space group

Spacegroup Number63
Hermann MauguinCmcm
Hall-C 2c 2
Crystal SystemOrthorhombic

Lattice Parameters

a7.415 Å b7.415 Å c13.608 Å
α90.000° β90.000° γ60.202°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-347.54498 eV -6.68356 eV -0.67411 eV 2.65070 eV 2.00000 eV 0.29051 eV