Detail information of NaCaAlH2OF6

Structure

Basic information

Pretty formulaNaCaAlH2OF6
Full formulaNa4Ca4Al4H8O4F24
TagsCalcium sodium hexafluoroaluminate hydrate;
Pachnolite
Constituent elementsAl; Ca; F; H; Na; O;
Number of elements6
Number of sites48
Volume516.22439 Å3
Density2.85714 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a8.073 Å b9.588 Å c10.049 Å
α48.482° β62.774° γ69.136°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-259.56729 eV -5.40765 eV -3.21636 eV 6.63680 eV -0.00001 eV 0.02224 eV