Detail information of NaH5S2O9

Structure

Basic information

Pretty formulaNaH5S2O9
Full formulaNa4H20S8O36
TagsSodium oxonium bis(hydrogensulfate)
Constituent elementsH; Na; O; S;
Number of elements4
Number of sites68
Volume916.40538 Å3
Density1.71166 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.350 Å b13.936 Å c9.150 Å
α90.000° β102.113° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-333.75967 eV -4.90823 eV -1.15138 eV 0.87410 eV 4.00000 eV 0.56250 eV