Detail information of BaRe2H12C3N6O11 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	BaRe2H12C3N6O11
Full formula	Ba4Re8H48C12N24O44
Tags	Barium bis(rhenate(VII)) - urea (1/3)
Constituent elements	Ba; C; H; N; O; Re;
Number of elements	6
Number of sites	140
Volume	1,677.91064 Å³
Density	3.23774 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	13.945 Å	b	7.992 Å	c	15.110 Å
α	90.000°	β	94.898°	γ	90.000°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-938.82915 eV	-6.70592 eV	-1.34457 eV	2.94660 eV	0.00000 eV	0.00025 eV