Detail information of CuH18C4N10(ClO)2

Structure

Basic information

Pretty formulaCuH18C4N10(ClO)2
Full formulaCu2H36C8N20Cl4O4
TagsBis(biguanide) copper chloride dihydrate
Constituent elementsC; Cl; Cu; H; N; O;
Number of elements6
Number of sites74
Volume760.65787 Å3
Density1.62725 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.910 Å b9.833 Å c12.720 Å
α67.664° β73.087° γ78.302°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-425.74579 eV -5.75332 eV -0.62319 eV 0.00620 eV 0.00000 eV 0.06545 eV