Structure

Basic information

Pretty formulaNa3Ca18Fe(PO4)14
Full formulaNa3Ca18Fe1P14O56
Tags
Constituent elementsCa; Fe; Na; O; P;
Number of elements5
Number of sites92
Volume1,192.73316 Å3
Density3.02920 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a13.883 Å b13.871 Å c13.892 Å
α44.516° β44.410° γ44.427°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-655.61017 eV -7.12620 eV -3.23080 eV 2.22600 eV 4.99998 eV 0.00000 eV