FeNiPd3
Alexandria ALEXAlex-ID: agm005753992 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1527_spg160
Fe2NiPd6 FeNiPd4 FeNi3
2023-07-03 19:14:08.433080
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753992).
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 agm005753992
data_agm005753992
_cell_length_a 4.86148
_cell_length_b 4.86148
_cell_length_c 4.86148
_cell_angle_alpha 110.35173
_cell_angle_beta 110.35170
_cell_angle_gamma 110.35183
_cell_volume 85.44201
_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 0.75900 0.75900 0.75900 1.00000
Ni1 Ni 0.28172 0.28172 0.28172 1.00000
Pd1 Pd 0.71133 0.18648 0.18648 1.00000
Pd2 Pd 0.18648 0.71133 0.18648 1.00000
Pd3 Pd 0.18648 0.18648 0.71133 1.00000
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