Detail information of CaH4NClO5

Structure

Basic information

Pretty formulaCaH4NClO5
Full formulaCa8H32N8Cl8O40
TagsCalcium chloride nitrate(V) dihydrate
Constituent elementsCa; Cl; H; N; O;
Number of elements5
Number of sites96
Volume1,228.08556 Å3
Density1.87748 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.146 Å b6.721 Å c19.978 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-521.27138 eV -5.42991 eV -1.65240 eV 3.56390 eV 0.00000 eV 0.00000 eV