Detail information of KV2H2C8N2(OF)5

Structure

Basic information

Pretty formulaKV2H2C8N2(OF)5
Full formulaK4V8H8C32N8O20F20
TagsBis(tetramethylammonium) potassium tri-mue-fluoro-bis(dioxofluorovanadate) hydrate
Constituent elementsC; F; H; K; N; O; V;
Number of elements7
Number of sites100
Volume1,732.44471 Å3
Density1.69495 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a11.826 Å b17.086 Å c8.574 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-609.24042 eV -6.09240 eV -0.47850 eV 0.59620 eV 0.01422 eV 1.16595 eV