Structure

Basic information

Pretty formulaBa4Na3Nd3P6(O12F)2
Full formulaBa8Na6Nd6P12O48F4
Tags
Constituent elementsBa; F; Na; Nd; O; P;
Number of elements6
Number of sites84
Volume1,225.80787 Å3
Density4.49426 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a9.846 Å b9.869 Å c14.596 Å
α89.903° β90.049° γ120.204°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-603.13210 eV -7.18014 eV -3.30358 eV 4.85800 eV 0.00042 eV 0.00000 eV