Detail information of H9C2N7O6

Structure

Basic information

Pretty formulaH9C2N7O6
Full formulaH36C8N28O24
TagsBiguanidinium hydrogen dinitrate
Constituent elementsC; H; N; O;
Number of elements4
Number of sites96
Volume905.89214 Å3
Density1.66540 g/cm3
Source Materials Project

Space group

Spacegroup Number29
Hermann MauguinPca21
HallP 2c -2ac
Crystal SystemOrthorhombic

Lattice Parameters

a14.231 Å b6.990 Å c9.107 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-584.93608 eV -6.09308 eV -0.73161 eV 3.30530 eV 0.00000 eV 0.26425 eV