Detail information of H4CN2O

Structure

Basic information

Pretty formulaH4CN2O
Full formulaH48C12N24O12
TagsGuanidinium Carbonate
Constituent elementsC; H; N; O;
Number of elements4
Number of sites96
Volume974.62310 Å3
Density1.22785 g/cm3
Source Materials Project

Space group

Spacegroup Number92
Hermann MauguinP41212
HallP 4abw 2nw
Crystal SystemTetragonal

Lattice Parameters

a7.307 Å b7.307 Å c18.252 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-571.22705 eV -5.95028 eV -0.65996 eV 3.57950 eV 0.00478 eV 0.13399 eV