Detail information of Cr3H24C8(NO5)2

Structure

Basic information

Pretty formulaCr3H24C8(NO5)2
Full formulaCr12H96C32N8O40
TagsBis(tetramethylammonium) trichromate(VI)
Constituent elementsC; Cr; H; N; O;
Number of elements5
Number of sites188
Volume2,008.22711 Å3
Density1.53557 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a11.615 Å b8.668 Å c20.563 Å
α90.000° β104.043° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,061.28687 eV -5.64514 eV -0.69469 eV 2.17420 eV 0.00695 eV 0.32888 eV