Structure

Basic information

Pretty formulaH6C3N4O3
Full formulaH24C12N16O12
TagsTriuret
Constituent elementsC; H; N; O;
Number of elements4
Number of sites64
Volume579.93223 Å3
Density1.67339 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a5.169 Å b5.169 Å c24.997 Å
α69.182° β110.818° γ91.677°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-282.84425 eV -5.89259 eV -0.65347 eV 3.32210 eV 0.00040 eV 0.35208 eV