Structure

Basic information

Pretty formulaH12C4IN
Full formulaH24C8I2N2
TagsTetramethylammonium iodide
Constituent elementsC; H; I; N;
Number of elements4
Number of sites36
Volume383.21357 Å3
Density1.74237 g/cm3
Source Materials Project

Space group

Spacegroup Number129
Hermann MauguinP4/nmm
HallP 4ab 2ab -1ab
Crystal SystemTetragonal

Lattice Parameters

a8.108 Å b8.108 Å c5.830 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-181.59583 eV -5.04433 eV -0.30821 eV 4.17790 eV -0.00028 eV 0.07766 eV