CeFe(H4Pd)2
Alexandria ALEXAlex-ID: agm007728097 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
CeFeH5 CeH7Pd5 H4Pd FeH
2025-05-28 04:48:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007728097).
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 agm007728097
data_agm007728097
_cell_length_a 4.43727
_cell_length_b 4.42641
_cell_length_c 6.04602
_cell_angle_alpha 89.79299
_cell_angle_beta 90.39502
_cell_angle_gamma 119.70007
_cell_volume 103.14829
_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
Ce1 Ce 0.99997 0.00002 0.50000 1.00000
Fe1 Fe 0.00004 0.00001 0.00002 1.00000
H1 H 0.92358 0.24629 0.83387 1.00000
H2 H 0.32405 0.07919 0.83784 1.00000
H3 H 0.75823 0.67570 0.83598 1.00000
H4 H 0.24179 0.32431 0.16398 1.00000
H5 H 0.66546 0.33255 0.44754 1.00000
H6 H 0.33440 0.66750 0.55249 1.00000
H7 H 0.07645 0.75374 0.16620 1.00000
H8 H 0.67597 0.92079 0.16207 1.00000
Pd1 Pd 0.33607 0.66633 0.84075 1.00000
Pd2 Pd 0.66400 0.33364 0.15928 1.00000
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