Detail information of K4H4WC8(N4O)2

Structure

Basic information

Pretty formulaK4H4WC8(N4O)2
Full formulaK16H16W4C32N32O8
TagsTetrapotassium octacyanotungstate(IV) dihydrate
Constituent elementsC; H; K; N; O; W;
Number of elements6
Number of sites108
Volume1,787.37524 Å3
Density2.17173 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a17.029 Å b11.914 Å c8.810 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-733.09727 eV -6.78794 eV -0.42302 eV 3.02120 eV 0.01849 eV 0.24356 eV