Structure

Basic information

Pretty formulaCaH3NO5
Full formulaCa16H48N16O80
TagsCalcium hydroxide nitrate hydrate
Constituent elementsCa; H; N; O;
Number of elements4
Number of sites160
Volume1,845.48665 Å3
Density1.97385 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a14.182 Å b8.887 Å c14.642 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-928.61536 eV -5.80385 eV -1.72019 eV 3.41210 eV 0.00740 eV 0.00000 eV