Fe4Cu5
Alexandria ALEXAlex-ID: agm005504463 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
Cu Fe
2023-03-19 13:15:38.920630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504463).
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 agm005504463
data_agm005504463
_cell_length_a 5.93896
_cell_length_b 5.93896
_cell_length_c 5.93896
_cell_angle_alpha 94.47266
_cell_angle_beta 94.47266
_cell_angle_gamma 147.56852
_cell_volume 107.87007
_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 0.00000 0.33951 0.33951 1.00000
Fe2 Fe 0.00000 0.66049 0.66049 1.00000
Fe3 Fe 0.66049 0.00000 0.66049 1.00000
Fe4 Fe 0.33951 0.00000 0.33951 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.66678 0.33322 0.00000 1.00000
Cu3 Cu 0.66678 0.66678 0.33357 1.00000
Cu4 Cu 0.33322 0.33322 0.66643 1.00000
Cu5 Cu 0.33322 0.66678 0.00000 1.00000
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