Detail information of Y2CuH5S2O12F

Structure

Basic information

Pretty formulaY2CuH5S2O12F
Full formulaY8Cu4H20S8O48F4
TagsDiyttrium copper trihydroxide bis(sulfate(VI)) fluoride hydrate
Constituent elementsCu; F; H; O; S; Y;
Number of elements6
Number of sites92
Volume1,131.65929 Å3
Density3.06100 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a12.876 Å b6.814 Å c13.166 Å
α90.000° β101.564° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-567.63888 eV -6.16999 eV -2.09568 eV 0.25790 eV 4.00000 eV 0.16224 eV