Detail information of CuH20S2(NO7)2

Structure

Basic information

Pretty formulaCuH20S2(NO7)2
Full formulaCu2H40S4N4O28
TagsBis(tetradeuterioammonium) hexakis(dideuterioaqua) copper sulfate
Constituent elementsCu; H; N; O; S;
Number of elements5
Number of sites78
Volume727.99733 Å3
Density1.82404 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.794 Å b12.739 Å c6.096 Å
α90.000° β106.820° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-387.06990 eV -4.96244 eV -1.05680 eV 0.00000 eV 4.26442 eV 0.28572 eV