Structure

Basic information

Pretty formulaH4CSN2
Full formulaH48C12S12N24
TagsThiourea - VI
Constituent elementsC; H; N; S;
Number of elements4
Number of sites96
Volume1,068.16842 Å3
Density1.42002 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a5.641 Å b7.435 Å c25.468 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-544.52145 eV -5.67210 eV -0.39494 eV 3.37420 eV 0.00198 eV 0.04050 eV