Structure

Basic information

Pretty formulaAl3P4H18C3N3O16
Full formulaAl6P8H36C6N6O32
TagsTris(methylammonium) tetrakis(phosphato(V))trialuminate
Constituent elementsAl; C; H; N; O; P;
Number of elements6
Number of sites94
Volume1,068.58675 Å3
Density1.73119 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.475 Å b11.419 Å c11.619 Å
α72.453° β89.423° γ85.341°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-585.02756 eV -6.22370 eV -1.74613 eV 5.21740 eV 0.00082 eV 0.01702 eV