Detail information of Mo2AsH18C6NO12

Structure

Basic information

Pretty formulaMo2AsH18C6NO12
Full formulaMo8As4H72C24N4O48
TagsTetramethylammonium dimethyldioxoarsenic bis(oxodiperoxomolybdate)
Constituent elementsAs; C; H; Mo; N; O;
Number of elements6
Number of sites160
Volume1,795.07115 Å3
Density2.08325 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a14.389 Å b10.539 Å c12.896 Å
α90.000° β113.372° γ90.000°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-883.32562 eV -5.52079 eV -0.72728 eV 2.71110 eV 0.00061 eV 0.47593 eV