Structure

Basic information

Pretty formulaSr20P12Br(O16F)3
Full formulaSr40P24Br2O96F6
Tags
Constituent elementsBr; F; O; P; Sr;
Number of elements5
Number of sites168
Volume2,501.59070 Å3
Density4.02120 g/cm3
Source Materials Project

Space group

Spacegroup Number143
Hermann MauguinP3
HallP 3
Crystal SystemHexagonal

Lattice Parameters

a9.909 Å b9.909 Å c29.416 Å
α90.000° β90.000° γ120.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,187.05027 eV -7.06578 eV -3.40356 eV 4.69940 eV 0.00305 eV 0.00624 eV