Detail information of BaNaFe4P6H3O25

Structure

Basic information

Pretty formulaBaNaFe4P6H3O25
Full formulaBa4Na4Fe16P24H12O100
TagsSodium barium tetrairon(III) tris(hydrogenphosphate(V)) tris(phosphate(V)) hydrate
Constituent elementsBa; Fe; H; Na; O; P;
Number of elements6
Number of sites160
Volume1,973.96985 Å3
Density3.27250 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a9.429 Å b22.913 Å c9.142 Å
α90.000° β91.898° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,072.86209 eV -6.70539 eV -2.35206 eV 0.57440 eV 87.24962 eV 0.05568 eV