Structure

Basic information

Pretty formulaLi2H12C3SN6O7
Full formulaLi4H24C6S2N12O14
TagsLithium sulfate tris(urea)
Constituent elementsC; H; Li; N; O; S;
Number of elements6
Number of sites62
Volume614.49223 Å3
Density1.56793 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a9.869 Å b9.869 Å c8.115 Å
α70.772° β109.228° γ123.014°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-374.28496 eV -6.03685 eV -1.13859 eV 5.01790 eV -0.00006 eV 0.00272 eV