Detail information of CdRe2H16C4S4(NO)8

Structure

Basic information

Pretty formulaCdRe2H16C4S4(NO)8
Full formulaCd2Re4H32C8S8N16O16
TagsCadmium bis(rhenate(VII)) - thiourea (1/4)
Constituent elementsC; Cd; H; N; O; Re; S;
Number of elements7
Number of sites86
Volume1,090.38780 Å3
Density2.79390 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.074 Å b13.790 Å c11.674 Å
α90.000° β106.786° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-530.30336 eV -6.16632 eV -0.85152 eV 2.38990 eV 0.00000 eV 0.14851 eV