Detail information of YH16C4N9O16

Structure

Basic information

Pretty formulaYH16C4N9O16
Full formulaY1H16C4N9O16
TagsPentaaquayttrium bis(3-nitro-1,2,4-triazol-5-onate) nitrate(V) dihydrate
Constituent elementsC; H; N; O; Y;
Number of elements5
Number of sites46
Volume487.94463 Å3
Density1.82111 g/cm3
Source Materials Project

Space group

Spacegroup Number8
Hermann MauguinCm
HallC -2y
Crystal SystemMonoclinic

Lattice Parameters

a11.390 Å b11.390 Å c6.483 Å
α86.743° β93.257° γ36.172°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-285.08392 eV -6.19748 eV -1.09943 eV 1.95350 eV -0.00006 eV 0.25193 eV