FeCu3
Alexandria ALEXAlex-ID: agm005490556 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6_spg139
Cu Fe
2023-03-18 22:12:41.707721
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005490556).
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 agm005490556
data_agm005490556
_cell_length_a 7.54702
_cell_length_b 7.54702
_cell_length_c 7.54702
_cell_angle_alpha 151.71785
_cell_angle_beta 151.71785
_cell_angle_gamma 40.42549
_cell_volume 96.30873
_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
Fe1 Fe 0.37382 0.37382 0.00000 1.00000
Fe2 Fe 0.62618 0.62618 0.00000 1.00000
Cu1 Cu 0.50000 0.00000 0.50000 1.00000
Cu2 Cu 0.12519 0.12519 0.00000 1.00000
Cu3 Cu 0.87481 0.87481 0.00000 1.00000
Cu4 Cu 0.75000 0.25000 0.50000 1.00000
Cu5 Cu 0.25000 0.75000 0.50000 1.00000
Cu6 Cu 0.00000 0.50000 0.50000 1.00000
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