Detail information of Rb2CaH8(N3O)4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Rb2CaH8(N3O)4
Full formula	Rb4Ca2H16N24O8
Tags	Dirubidium calcium tetraazide tetrahydrate
Constituent elements	Ca; H; N; O; Rb;
Number of elements	5
Number of sites	54
Volume	696.94160 Å³
Density	2.14985 g/cm³
Source	Materials Project

Space group

Spacegroup Number	68
Hermann Mauguin	Ccca
Hall	C 2 2 -1bc
Crystal System	Orthorhombic

Lattice Parameters

a	11.302 Å	b	11.302 Å	c	6.327 Å
α	90.000°	β	90.000°	γ	120.415°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-330.84868 eV	-6.12683 eV	-0.85979 eV	4.35260 eV	0.00010 eV	0.04471 eV