Detail information of H9CSO7F3

Structure

Basic information

Pretty formulaH9CSO7F3
Full formulaH36C4S4O28F12
TagsTrifluoromethanesulfonic acid tetrahydrate
Constituent elementsC; F; H; O; S;
Number of elements5
Number of sites84
Volume881.09093 Å3
Density1.67460 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.711 Å b8.789 Å c13.007 Å
α90.000° β91.736° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-434.53331 eV -5.17302 eV -1.53467 eV 5.84260 eV 0.00107 eV 0.12023 eV