Detail information of CoH6C2S2N2O3

Structure

Basic information

Pretty formulaCoH6C2S2N2O3
Full formulaCo2H12C4S4N4O6
TagsCobalt bis(thiocyanate) trihydrate
Constituent elementsC; Co; H; N; O; S;
Number of elements6
Number of sites32
Volume408.95776 Å3
Density1.86084 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.014 Å b7.014 Å c10.647 Å
α88.791° β91.209° γ128.639°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-183.23073 eV -5.72596 eV -0.72685 eV 2.23580 eV 6.00000 eV 0.26249 eV