Detail information of Ga3P3H6C2NO13

Structure

Basic information

Pretty formulaGa3P3H6C2NO13
Full formulaGa12P12H24C8N4O52
TagsDimethylammonium tecto-dodecaoxohydroxotrigallotriphosphate(V);
Zeolite GaPO4-21
Constituent elementsC; Ga; H; N; O; P;
Number of elements6
Number of sites112
Volume1,426.21694 Å3
Density2.58082 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.937 Å b18.054 Å c9.379 Å
α90.000° β109.546° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-698.14610 eV -6.23345 eV -1.72695 eV 0.56160 eV 4.00000 eV 0.20983 eV