Li3Fe2
Alexandria ALEXAlex-ID: agm005505870 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_675_spg43
Fe Li
2023-03-20 23:13:32.233822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505870).
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 agm005505870
data_agm005505870
_cell_length_a 13.16100
_cell_length_b 12.39031
_cell_length_c 4.74756
_cell_angle_alpha 88.61325
_cell_angle_beta 70.24823
_cell_angle_gamma 21.13852
_cell_volume 135.23401
_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
Li1 Li 0.50377 0.69944 0.47678 1.00000
Li2 Li 0.32001 0.47678 0.69944 1.00000
Li3 Li 0.55056 0.74623 0.92999 1.00000
Li4 Li 0.77322 0.92999 0.74623 1.00000
Li5 Li 0.98084 0.01916 0.01916 1.00000
Li6 Li 0.23084 0.26916 0.26916 1.00000
Fe1 Fe 0.88565 0.20229 0.60233 1.00000
Fe2 Fe 0.30973 0.60233 0.20229 1.00000
Fe3 Fe 0.04771 0.36435 0.94027 1.00000
Fe4 Fe 0.64767 0.94027 0.36435 1.00000
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