Structure

Basic information

Pretty formulaSr20P12Cl(O16F)3
Full formulaSr20P12Cl1O48F3
Tags
Constituent elementsCl; F; O; P; Sr;
Number of elements5
Number of sites84
Volume1,249.87593 Å3
Density3.96510 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a9.891 Å b19.780 Å c7.376 Å
α90.001° β89.999° γ119.994°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-594.44276 eV -7.07670 eV -3.41894 eV 5.16410 eV 0.00000 eV 0.00599 eV