Detail information of SiCuH12(OF)6 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	SiCuH12(OF)6
Full formula	Si4Cu4H48O24F24
Tags	Copper hexafluorosilicate hexahydrate
Constituent elements	Cu; F; H; O; Si;
Number of elements	5
Number of sites	104
Volume	959.07135 Å³
Density	2.17266 g/cm³
Source	Materials Project

Space group

Spacegroup Number	148
Hermann Mauguin	R-3
Hall	-R 3
Crystal System	Hexagonal

Lattice Parameters

a	11.060 Å	b	11.060 Å	c	11.060 Å
α	111.418°	β	111.418°	γ	111.418°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-522.86250 eV	-5.02752 eV	-1.86123 eV	0.00000 eV	1.79908 eV	0.00378 eV