Detail information of Mo2H3(CO2)4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Mo2H3(CO2)4
Full formula	Mo8H12C16O32
Tags	Dimolybdenum(II) tetraformate
Constituent elements	C; H; Mo; O;
Number of elements	4
Number of sites	68
Volume	1,012.84616 Å³
Density	2.43260 g/cm³
Source	Materials Project

Space group

Spacegroup Number	19
Hermann Mauguin	P212121
Hall	P 2ac 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	12.726 Å	b	13.388 Å	c	5.945 Å
α	89.999°	β	90.000°	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
-457.41202 eV	-6.72665 eV	-1.12961 eV	1.39380 eV	36.00000 eV	0.39202 eV