Detail information of Sr8Nd2Fe5(MoO6)5 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Sr8Nd2Fe5(MoO6)5
Full formula	Sr16Nd4Fe10Mo10O60
Tags
Constituent elements	Fe; Mo; Nd; O; Sr;
Number of elements	5
Number of sites	100
Volume	1,288.82025 Å³
Density	5.74209 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	5.661 Å	b	5.697 Å	c	39.964 Å
α	90.140°	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
-698.64841 eV	-6.98648 eV	-2.68050 eV	0.49360 eV	59.99278 eV	0.00042 eV