Detail information of CrH10SNO10 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CrH10SNO10
Full formula	Cr4H40S4N4O40
Tags	Pentaquanitrato(I)chromium sulfate
Constituent elements	Cr; H; N; O; S;
Number of elements	5
Number of sites	92
Volume	922.80993 Å³
Density	1.93001 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	12.239 Å	b	6.974 Å	c	11.519 Å
α	90.000°	β	110.180°	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
-511.28280 eV	-5.55742 eV	-1.45152 eV	2.28170 eV	4.00000 eV	0.07414 eV