Detail information of Al2P2H8C2NO8F

Structure

Basic information

Pretty formulaAl2P2H8C2NO8F
Full formulaAl8P8H32C8N4O32F4
TagsDimethylammonium bis(phosphato(V))fluorodialuminate
Constituent elementsAl; C; F; H; N; O; P;
Number of elements7
Number of sites96
Volume984.41754 Å3
Density2.08489 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a9.544 Å b12.891 Å c8.690 Å
α90.000° β112.955° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-605.32304 eV -6.30545 eV -1.89236 eV 5.40010 eV 0.00388 eV 0.03859 eV