Detail information of KAlP4(H2O7)2

Structure

Basic information

Pretty formulaKAlP4(H2O7)2
Full formulaK1Al1P4H4O14
TagsPotassium aluminium bis(dihydrogen diphosphate)
Constituent elementsAl; H; K; O; P;
Number of elements5
Number of sites24
Volume279.50818 Å3
Density2.48330 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a4.956 Å b7.558 Å c7.870 Å
α98.318° β96.342° γ73.918°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-158.34638 eV -6.59777 eV -2.48560 eV 5.65300 eV 0.00000 eV 0.00000 eV