Detail information of Al4P4H11C3NO18

Structure

Basic information

Pretty formulaAl4P4H11C3NO18
Full formulaAl8P8H22C6N2O36
TagsOctaaluminium bis(propylammonium) octakis(phosphate(V)) dihydroxide dihydrate
Constituent elementsAl; C; H; N; O; P;
Number of elements6
Number of sites82
Volume951.99401 Å3
Density2.02663 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.708 Å b9.852 Å c10.750 Å
α75.062° β73.736° γ89.031°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-531.67805 eV -6.48388 eV -1.99420 eV 1.02900 eV 4.00000 eV 0.14952 eV