Detail information of NaCa3MgFe(Si2O7)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	NaCa3MgFe(Si2O7)2
Full formula	Na2Ca6Mg2Fe2Si8O28
Tags
Constituent elements	Ca; Fe; Mg; Na; O; Si;
Number of elements	6
Number of sites	48
Volume	684.82631 Å³
Density	2.71431 g/cm³
Source	Materials Project

Space group

Spacegroup Number	28
Hermann Mauguin	Pma2
Hall	P 2 -2a
Crystal System	Orthorhombic

Lattice Parameters

a	5.919 Å	b	15.266 Å	c	11.422 Å
α	41.566°	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
-322.98354 eV	-6.72882 eV	-2.74560 eV	0.76120 eV	6.00033 eV	0.43339 eV