SmH6Pd
Alexandria ALEXAlex-ID: agm079349342 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_41_spg38
SmH4Pd H2
2025-06-26 10:42:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079349342).
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 agm079349342
data_agm079349342
_cell_length_a 3.70772
_cell_length_b 4.88465
_cell_length_c 4.26355
_cell_angle_alpha 87.69099
_cell_angle_beta 115.78048
_cell_angle_gamma 90.00862
_cell_volume 69.46188
_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 0.58880 0.93847 0.95878 1.00000
H1 H 0.74841 0.46299 0.27825 1.00000
H2 H 0.45792 0.36402 0.69674 1.00000
H3 H 0.91307 0.96886 0.60729 1.00000
H4 H 0.18261 0.15074 0.14633 1.00000
H5 H 0.05207 0.60803 0.88569 1.00000
H6 H 0.30617 0.78825 0.39379 1.00000
Pd1 Pd 0.25096 0.46863 0.28312 1.00000
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