Structure

Basic information

Pretty formulaNaMn6Al3H42(SO19)2
Full formulaNa1Mn6Al3H42S2O38
TagsTris(hexahydroxoaluminiumdimanganese) hexaaquasodium bis(sulfate(VI)) hexahydrate;
Shigaite
Constituent elementsAl; H; Mn; Na; O; S;
Number of elements6
Number of sites92
Volume881.80404 Å3
Density2.16182 g/cm3
Source Materials Project

Space group

Spacegroup Number148
Hermann MauguinR-3
Hall-R 3
Crystal SystemHexagonal

Lattice Parameters

a12.358 Å b12.358 Å c12.358 Å
α45.721° β45.721° γ45.721°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-521.53559 eV -5.66887 eV -1.72739 eV 2.89480 eV 29.99996 eV 0.00000 eV