Detail information of Ca5P3HO13

Structure

Basic information

Pretty formulaCa5P3HO13
Full formulaCa20P12H4O52
TagsDecacalcium hexakis(phosphate(V)) dihydroxide;
Pentacalcium tris(phosphate(V)) hydroxide;
Apatite-(Ca
Constituent elementsCa; H; O; P;
Number of elements4
Number of sites88
Volume1,084.24669 Å3
Density3.07719 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.503 Å b19.002 Å c6.936 Å
α90.000° β90.000° γ120.037°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-623.70862 eV -7.08760 eV -3.24756 eV 5.21160 eV 0.00000 eV 0.00128 eV