Fe2HPd4
Alexandria ALEXAlex-ID: agm096447896 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_17_spg123
HPd Fe FePd2
2025-04-10 19:58:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096447896).
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 agm096447896
data_agm096447896
_cell_length_a 2.73194
_cell_length_b 4.35704
_cell_length_c 7.51049
_cell_angle_alpha 90.16817
_cell_angle_beta 90.40574
_cell_angle_gamma 90.04220
_cell_volume 89.39611
_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 0.20468 0.95264 0.98276 1.00000
Fe2 Fe 0.72624 0.46204 0.49892 1.00000
H1 H 0.70793 0.23179 0.04867 1.00000
Pd1 Pd 0.70828 0.47000 0.83651 1.00000
Pd2 Pd 0.71624 0.95788 0.31139 1.00000
Pd3 Pd 0.22163 0.96342 0.64079 1.00000
Pd4 Pd 0.21500 0.46223 0.18095 1.00000
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