FePd3
Alexandria ALEXAlex-ID: agm024386433 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_4825_spg12
Fe2Pd7 FePd2
2025-05-16 04:34:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024386433).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm024386433
data_agm024386433
_cell_length_a 4.73809
_cell_length_b 4.73809
_cell_length_c 10.99956
_cell_angle_alpha 74.53031
_cell_angle_beta 105.46969
_cell_angle_gamma 131.34954
_cell_volume 177.25243
_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 0.00000 0.50000 1.00000
Fe2 Fe 0.34354 0.65646 0.09074 1.00000
Fe3 Fe 0.65646 0.34354 0.90926 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.33786 0.66214 0.33318 1.00000
Pd3 Pd 0.00352 0.99648 0.24903 1.00000
Pd4 Pd 0.67316 0.32684 0.15430 1.00000
Pd5 Pd 0.66214 0.33786 0.66682 1.00000
Pd6 Pd 0.32684 0.67316 0.84570 1.00000
Pd7 Pd 0.99648 0.00352 0.75097 1.00000
Pd8 Pd 0.66823 0.33177 0.41772 1.00000
Pd9 Pd 0.33177 0.66823 0.58228 1.00000
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