Detail information of CrH17N4Cl2O3

Structure

Basic information

Pretty formulaCrH17N4Cl2O3
Full formulaCr4H68N16Cl8O12
TagsDi-mue-hydroxobis(tetraamminechromium(III)) chloride tetrahydrate
Constituent elementsCl; Cr; H; N; O;
Number of elements5
Number of sites108
Volume1,039.36290 Å3
Density1.55970 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a10.819 Å b10.204 Å c9.520 Å
α90.000° β98.538° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-546.69586 eV -5.06200 eV -0.99836 eV 3.70420 eV 12.00000 eV 0.00109 eV