Detail information of CaH16C4N8(ClO2)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CaH16C4N8(ClO2)2
Full formula	Ca2H32C8N16Cl4O8
Tags	Calcium chloride - urea (1/4)
Constituent elements	C; Ca; Cl; H; N; O;
Number of elements	6
Number of sites	70
Volume	1,048.12678 Å³
Density	1.11282 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	9.181 Å	b	13.622 Å	c	9.143 Å
α	90.000°	β	113.550°	γ	90.000°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-394.58366 eV	-5.63691 eV	-0.67129 eV	1.01280 eV	4.00000 eV	0.30495 eV