Detail information of CaPH4O5F

Structure

Basic information

Pretty formulaCaPH4O5F
Full formulaCa2P2H8O10F2
TagsCalcium trioxofluorophosphate dihydrate
Constituent elementsCa; F; H; O; P;
Number of elements5
Number of sites24
Volume259.34735 Å3
Density2.22917 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a8.749 Å b6.529 Å c5.804 Å
α118.856° β110.649° γ94.263°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-141.62307 eV -5.90096 eV -2.32183 eV 0.00000 eV 0.00000 eV 0.04273 eV