Detail information of Ba2SiO4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Ba2SiO4
Full formula	Ba8Si4O16
Tags	Dibarium silicate; Barium silicate
Constituent elements	Ba; O; Si;
Number of elements	3
Number of sites	28
Volume	465.75433 Å³
Density	5.23006 g/cm³
Source	Materials Project

Space group

Spacegroup Number	62
Hermann Mauguin	Pnma
Hall	-P 2ac 2n
Crystal System	Orthorhombic

Lattice Parameters

a	5.884 Å	b	7.602 Å	c	10.413 Å
α	90.000°	β	90.000°	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
-199.35210 eV	-7.11972 eV	-3.37516 eV	4.62890 eV	0.00000 eV	0.00000 eV