Detail information of Cu2H2Se2O7 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Cu2H2Se2O7
Full formula	Cu8H8Se8O28
Tags	Dicopper bis(selenate(IV)) hydrate
Constituent elements	Cu; H; O; Se;
Number of elements	4
Number of sites	52
Volume	645.50791 Å³
Density	4.10588 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	8.551 Å	b	7.638 Å	c	10.631 Å
α	90.000°	β	111.623°	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
-265.20579 eV	-5.10011 eV	-1.15482 eV	0.19650 eV	7.78046 eV	0.01589 eV