Detail information of NaFe2H3(SO4)2

Structure

Basic information

Pretty formulaNaFe2H3(SO4)2
Full formulaNa2Fe4H6S4O16
TagsSodium diiron hydroxobis(sulfate) hydrate
Constituent elementsFe; H; Na; O; S;
Number of elements5
Number of sites32
Volume381.61789 Å3
Density2.87038 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a9.028 Å b7.988 Å c6.465 Å
α112.313° β110.284° γ99.009°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-182.23968 eV -5.69499 eV -1.65688 eV 0.28050 eV -12.00000 eV 0.09916 eV