Structure

Basic information

Pretty formulaCuH9C4S4N
Full formulaCu4H36C16S16N4
TagsTrimethylammonium dithioperthiocarbonatocuprate(I)
Constituent elementsC; Cu; H; N; S;
Number of elements5
Number of sites76
Volume1,001.79652 Å3
Density1.74327 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.502 Å b10.979 Å c10.982 Å
α78.376° β74.142° γ66.053°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-389.52170 eV -5.12529 eV -0.14516 eV 0.00630 eV 0.73936 eV 0.13755 eV