Structure

Basic information

Pretty formulaCoP2H18(NF2)6
Full formulaCo1P2H18N6F12
Tags
Constituent elementsCo; F; H; N; P;
Number of elements5
Number of sites39
Volume420.05757 Å3
Density1.78304 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.304 Å b8.394 Å c8.504 Å
α58.895° β60.317° γ61.189°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-197.97672 eV -5.07633 eV -1.50907 eV 2.62440 eV 1.00000 eV 0.04306 eV