SmFe(H4Pd)2
Alexandria ALEXAlex-ID: agm007306708 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
H4Pd SmFeH5 HPd
2025-05-28 04:44:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306708).
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 agm007306708
data_agm007306708
_cell_length_a 4.45420
_cell_length_b 4.33058
_cell_length_c 6.08059
_cell_angle_alpha 88.52438
_cell_angle_beta 87.11204
_cell_angle_gamma 61.98210
_cell_volume 103.41212
_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
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
H1 H 0.23972 0.08135 0.82033 1.00000
H2 H 0.66483 0.23202 0.85392 1.00000
H3 H 0.05139 0.68067 0.83729 1.00000
H4 H 0.76028 0.91865 0.17967 1.00000
H5 H 0.33517 0.76798 0.14608 1.00000
H6 H 0.94861 0.31933 0.16271 1.00000
H7 H 0.33054 0.34260 0.44767 1.00000
H8 H 0.66946 0.65740 0.55233 1.00000
Pd1 Pd 0.35907 0.32946 0.16689 1.00000
Pd2 Pd 0.64093 0.67054 0.83311 1.00000
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