Mg2Fe3
Alexandria ALEXAlex-ID: agm005505570 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Fe Mg
2023-03-20 07:11:00.949182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505570).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005505570
data_agm005505570
_cell_length_a 7.81849
_cell_length_b 6.94424
_cell_length_c 5.15073
_cell_angle_alpha 79.02121
_cell_angle_beta 60.68320
_cell_angle_gamma 40.29558
_cell_volume 149.15950
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.24695 0.85810 0.37845 1.00000
Mg2 Mg 0.51650 0.37845 0.85810 1.00000
Mg3 Mg 0.39190 0.00305 0.73350 1.00000
Mg4 Mg 0.87155 0.73350 0.00305 1.00000
Fe1 Fe 0.80494 0.41454 0.32269 1.00000
Fe2 Fe 0.45783 0.32269 0.41454 1.00000
Fe3 Fe 0.83546 0.44506 0.79217 1.00000
Fe4 Fe 0.92731 0.79217 0.44506 1.00000
Fe5 Fe 0.97378 0.02622 0.02622 1.00000
Fe6 Fe 0.22378 0.27622 0.27622 1.00000
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