Structure

Basic information

Pretty formulaH4CSN2
Full formulaH16C4S4N8
TagsThiourea
Constituent elementsC; H; N; S;
Number of elements4
Number of sites32
Volume354.51958 Å3
Density1.42617 g/cm3
Source Materials Project

Space group

Spacegroup Number26
Hermann MauguinPmc21
HallP 2c -2
Crystal SystemOrthorhombic

Lattice Parameters

a7.519 Å b8.577 Å c5.497 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-181.62258 eV -5.67571 eV -0.39855 eV 3.28510 eV 0.00000 eV 0.03689 eV