Detail information of CoP2H24C8S4NClO4

Structure

Basic information

Pretty formulaCoP2H24C8S4NClO4
Full formulaCo2P4H48C16S8N2Cl2O8
TagsTetramethylammonium chlorobis(dimethoxydithiophosphinato)cobaltate
Constituent elementsC; Cl; Co; H; N; O; P; S;
Number of elements8
Number of sites90
Volume1,073.99211 Å3
Density1.49318 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a7.330 Å b8.781 Å c16.832 Å
α84.831° β84.519° γ89.903°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-469.53685 eV -5.21708 eV -0.54475 eV 1.91000 eV 6.00723 eV 0.10498 eV