Detail information of Na2NiH6C4N4O3

Structure

Basic information

Pretty formulaNa2NiH6C4N4O3
Full formulaNa8Ni4H24C16N16O12
TagsDisodium tetracyanoniccolate trihydrate;
Disodium tetracyanoniccolate(II) trihydrate
Constituent elementsC; H; N; Na; Ni; O;
Number of elements6
Number of sites80
Volume973.49398 Å3
Density1.79301 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a7.299 Å b8.867 Å c15.150 Å
α89.324° β87.404° γ83.641°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-478.47733 eV -5.98097 eV -0.62653 eV 3.41640 eV 0.00012 eV 0.24394 eV