Detail information of VH20C2S2N6O13

Structure

Basic information

Pretty formulaVH20C2S2N6O13
Full formulaV4H80C8S8N24O52
TagsDiguanidinium tetraaquaoxovandium(IV) bis(sulfate(VI));
Vanadyl guanidinium disulfate tetrahydrate
Constituent elementsC; H; N; O; S; V;
Number of elements6
Number of sites176
Volume1,719.36390 Å3
Density1.74338 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.398 Å b12.484 Å c19.494 Å
α106.686° β94.231° γ90.075°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,020.02241 eV -5.79558 eV -1.21276 eV 3.03340 eV 4.00283 eV 0.03723 eV