Detail information of CdRe2H8C2(N2O5)2

Structure

Basic information

Pretty formulaCdRe2H8C2(N2O5)2
Full formulaCd4Re8H32C8N16O40
TagsCadmium bis(rhenate(VII)) - urea (1/2)
Constituent elementsC; Cd; H; N; O; Re;
Number of elements6
Number of sites108
Volume1,375.06403 Å3
Density3.54037 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a15.796 Å b10.519 Å c8.303 Å
α90.000° β94.640° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-720.77131 eV -6.67381 eV -1.32891 eV 2.76750 eV 0.00253 eV 0.01051 eV