Detail information of Na2CuH20C12(N2O3)6

Structure

Basic information

Pretty formulaNa2CuH20C12(N2O3)6
Full formulaNa2Cu1H20C12N12O18
TagsDisodium copper tetrakis(isocyanatoureate) hexahydrate
Constituent elementsC; Cu; H; N; Na; O;
Number of elements6
Number of sites65
Volume638.93835 Å3
Density1.89689 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.544 Å b10.499 Å c6.862 Å
α71.175° β83.994° γ62.852°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-425.99579 eV -6.55378 eV -1.10989 eV 0.87970 eV 0.99993 eV 0.01828 eV