Detail information of CoP4(H5O8)2

Structure

Basic information

Pretty formulaCoP4(H5O8)2
Full formulaCo1P4H10O16
TagsCobalt dihydrogenphosphate bis(phosphoric acid)
Constituent elementsCo; H; O; P;
Number of elements4
Number of sites31
Volume309.62508 Å3
Density2.40747 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.235 Å b5.317 Å c7.268 Å
α92.742° β99.887° γ97.993°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-188.42294 eV -6.07816 eV -1.98184 eV 3.20390 eV 3.00000 eV 0.00251 eV