Detail information of CrH20S2(NO7)2

Structure

Basic information

Pretty formulaCrH20S2(NO7)2
Full formulaCr2H40S4N4O28
TagsBis(tetradeuterioammonium) hexakis(dideuterioaqua)chromium(II) sulfate;
Diammonium hexaaquachromium
Constituent elementsCr; H; N; O; S;
Number of elements5
Number of sites78
Volume721.77126 Å3
Density1.78663 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.543 Å b12.898 Å c6.136 Å
α90.000° β107.131° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-421.06101 eV -5.39822 eV -1.40216 eV 2.70760 eV 8.00004 eV 0.01087 eV