Detail information of CaZnP2H5O8

Structure

Basic information

Pretty formulaCaZnP2H5O8
Full formulaCa4Zn4P8H20O32
TagsZinc calcium bis(hydrogenphosphate(III)) dihydrate
Constituent elementsCa; H; O; P; Zn;
Number of elements5
Number of sites68
Volume846.79427 Å3
Density2.35685 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.295 Å b8.092 Å c14.412 Å
α90.000° β95.564° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-386.34233 eV -5.68151 eV -1.90822 eV 0.19390 eV 3.87155 eV 0.22071 eV