Detail information of CaV2P3HO12

Structure

Basic information

Pretty formulaCaV2P3HO12
Full formulaCa4V8P12H4O48
TagsCalcium divanadium(III) bis(phosphate(V)) hydrogenphosphate(V)
Constituent elementsCa; H; O; P; V;
Number of elements5
Number of sites76
Volume859.13760 Å3
Density3.30805 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.480 Å b20.311 Å c6.530 Å
α90.000° β91.383° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-557.45770 eV -7.33497 eV -2.75369 eV 1.51890 eV 16.00000 eV 0.00370 eV