Detail information of LiCuH4Cl3O2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	LiCuH4Cl3O2
Full formula	Li4Cu4H16Cl12O8
Tags	Lithium copper chloride dihydrate
Constituent elements	Cl; Cu; H; Li; O;
Number of elements	5
Number of sites	44
Volume	617.17043 Å³
Density	2.29104 g/cm³
Source	Materials Project

Space group

Spacegroup Number	14
Hermann Mauguin	P21/c
Hall	-P 2ybc
Crystal System	Monoclinic

Lattice Parameters

a	6.191 Å	b	11.230 Å	c	9.314 Å
α	90.000°	β	107.608°	γ	90.000°

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Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-185.29478 eV	-4.21125 eV	-1.37537 eV	0.30120 eV	3.86407 eV	0.00770 eV