Detail information of ZrH14C2(N4F3)2

Structure

Basic information

Pretty formulaZrH14C2(N4F3)2
Full formulaZr2H28C4N16F12
TagsAminoguanidinium hexafluorozirconate;
Bis(aminoguanidinium(1+)) hexafluorozirconate;
Bis(aminoguanidi
Constituent elementsC; F; H; N; Zr;
Number of elements5
Number of sites62
Volume608.25560 Å3
Density1.94049 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.450 Å b14.753 Å c6.464 Å
α90.000° β90.000° γ98.544°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-365.39985 eV -5.89355 eV -1.23228 eV 4.62510 eV 0.00277 eV 0.06455 eV