Detail information of Ba3In2(HO)12 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Ba3In2(HO)12
Full formula	Ba12In8H48O48
Tags	Tribarium diindium deuteriooxide
Constituent elements	Ba; H; In; O;
Number of elements	4
Number of sites	116
Volume	1,483.57063 Å³
Density	3.78634 g/cm³
Source	Materials Project

Space group

Spacegroup Number	230
Hermann Mauguin	Ia-3d
Hall	-I 4bd 2c 3
Crystal System	Cubic

Lattice Parameters

a	12.444 Å	b	12.444 Å	c	12.444 Å
α	109.471°	β	109.471°	γ	109.471°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-623.51280 eV	-5.37511 eV	-1.89583 eV	3.26030 eV	0.00000 eV	0.00000 eV