Detail information of CuH4C2S2N2Cl

Structure

Basic information

Pretty formulaCuH4C2S2N2Cl
Full formulaCu8H32C16S16N16Cl8
TagsCopper(I) 1,2dithiooxalicacidamide chloride
Constituent elementsC; Cl; Cu; H; N; S;
Number of elements6
Number of sites96
Volume1,252.14650 Å3
Density2.32550 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a15.573 Å b6.951 Å c11.567 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-521.63839 eV -5.43373 eV -0.35680 eV 0.99680 eV 0.00000 eV 0.22393 eV