Detail information of Na6HfH8S5O24

Structure

Basic information

Pretty formulaNa6HfH8S5O24
Full formulaNa12Hf2H16S10O48
TagsHexasodium hafnium pentakis(orthosulfate) tetrahydrate
Constituent elementsH; Hf; Na; O; S;
Number of elements5
Number of sites88
Volume1,039.80360 Å3
Density2.77491 g/cm3
Source Materials Project

Space group

Spacegroup Number4
Hermann MauguinP21
HallP 2yb
Crystal SystemMonoclinic

Lattice Parameters

a8.632 Å b11.290 Å c10.794 Å
α90.000° β98.694° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-512.98686 eV -5.82940 eV -2.05698 eV 4.66250 eV 0.00000 eV 0.00358 eV