Detail information of YH8C2S2NO9 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	YH8C2S2NO9
Full formula	Y4H32C8S8N4O36
Tags	Dimethylammonium aquabis(sulfato(VI))yttriate
Constituent elements	C; H; N; O; S; Y;
Number of elements	6
Number of sites	92
Volume	997.47396 Å³
Density	2.28484 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	9.135 Å	b	19.531 Å	c	5.591 Å
α	90.000°	β	90.072°	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
-550.35555 eV	-5.98213 eV	-1.41063 eV	1.49340 eV	4.00000 eV	0.25531 eV