Fe2CuPd3
Alexandria ALEXAlex-ID: agm020375685 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_679_spg63
FeCu3Pd4 Fe FePd2
2025-04-13 20:34:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020375685).
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 agm020375685
data_agm020375685
_cell_length_a 7.18367
_cell_length_b 7.18367
_cell_length_c 4.68007
_cell_angle_alpha 89.87725
_cell_angle_beta 90.12275
_cell_angle_gamma 136.05772
_cell_volume 167.59503
_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 0.03867 0.70947 0.59118 1.00000
Fe2 Fe 0.29053 0.96133 0.09118 1.00000
Fe3 Fe 0.70947 0.03867 0.90882 1.00000
Fe4 Fe 0.96133 0.29053 0.40882 1.00000
Cu1 Cu 0.12457 0.12457 0.75000 1.00000
Cu2 Cu 0.87543 0.87543 0.25000 1.00000
Pd1 Pd 0.35661 0.35661 0.25000 1.00000
Pd2 Pd 0.64339 0.64339 0.75000 1.00000
Pd3 Pd 0.19719 0.53590 0.89778 1.00000
Pd4 Pd 0.53590 0.19719 0.60222 1.00000
Pd5 Pd 0.46410 0.80281 0.39778 1.00000
Pd6 Pd 0.80281 0.46410 0.10222 1.00000
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