Detail information of Co2H21S3(NO2)6

Structure

Basic information

Pretty formulaCo2H21S3(NO2)6
Full formulaCo8H84S12N24O48
TagsTri-mue-hydroxo-bis(triamminecobalt(III)) dithionate
Constituent elementsCo; H; N; O; S;
Number of elements5
Number of sites176
Volume1,604.31349 Å3
Density2.11672 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a11.323 Å b10.032 Å c15.900 Å
α90.000° β117.352° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-937.23067 eV -5.32517 eV -1.02054 eV 0.33960 eV 8.06598 eV 0.14936 eV