Detail information of NaCa3AlFe3(SiO3)8 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	NaCa3AlFe3(SiO3)8
Full formula	Na2Ca6Al2Fe6Si16O48
Tags
Constituent elements	Al; Ca; Fe; Na; O; Si;
Number of elements	6
Number of sites	80
Volume	908.42472 Å³
Density	3.45995 g/cm³
Source	Materials Project

Space group

Spacegroup Number	13
Hermann Mauguin	P2/c
Hall	-P 2yc
Crystal System	Monoclinic

Lattice Parameters

a	5.349 Å	b	26.658 Å	c	9.853 Å
α	42.334°	β	73.764°	γ	78.072°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-593.76799 eV	-7.42210 eV	-3.09106 eV	3.95280 eV	24.00000 eV	0.01878 eV