Detail information of Al2P3H17C4(NO6)2

Structure

Basic information

Pretty formulaAl2P3H17C4(NO6)2
Full formulaAl8P12H68C16N8O48
TagsBis(dimethylammonium) hydrogentris(phosphato(V))aluminate
Constituent elementsAl; C; H; N; O; P;
Number of elements6
Number of sites160
Volume1,691.26813 Å3
Density1.69687 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a9.701 Å b9.701 Å c35.947 Å
α82.058° β97.942° γ149.656°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-972.49974 eV -6.07812 eV -1.51831 eV 5.22610 eV 0.00514 eV 0.04253 eV