Detail information of ZrH27C8N2Cl5O2

Structure

Basic information

Pretty formulaZrH27C8N2Cl5O2
Full formulaZr4H108C32N8Cl20O8
TagsBis(trimethylammonium) pentachloromethanolomethoxyzirconate
Constituent elementsC; Cl; H; N; O; Zr;
Number of elements6
Number of sites180
Volume2,126.21203 Å3
Density1.41140 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a7.317 Å b14.714 Å c19.750 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-928.03134 eV -5.15573 eV -0.70092 eV 3.92600 eV 0.04995 eV 0.06444 eV