Detail information of Cu3Mo2(HO5)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Cu3Mo2(HO5)2
Full formula	Cu6Mo4H4O20
Tags	Tricopper bis(molybdate) dihydroxide; Lindgrenite
Constituent elements	Cu; H; Mo; O;
Number of elements	4
Number of sites	34
Volume	439.92007 Å³
Density	4.11079 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	5.470 Å	b	14.205 Å	c	5.710 Å
α	90.000°	β	97.405°	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
-202.59941 eV	-5.95881 eV	-1.50169 eV	0.22650 eV	6.00072 eV	0.03254 eV