La2H7Pd
Alexandria ALEXAlex-ID: agm006204535 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_796_spg12
LaH4Pd LaH3
2023-12-01 01:21:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204535).
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 agm006204535
data_agm006204535
_cell_length_a 5.08492
_cell_length_b 5.08510
_cell_length_c 7.55787
_cell_angle_alpha 109.64903
_cell_angle_beta 70.29647
_cell_angle_gamma 120.11665
_cell_volume 155.76176
_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
H1 H 0.10633 0.75583 0.13137 1.00000
H2 H 0.84018 0.95573 0.86224 1.00000
H3 H 0.37355 0.48910 0.86222 1.00000
H4 H 0.10646 0.22224 0.13138 1.00000
H5 H 0.47319 0.85541 0.49681 1.00000
H6 H 0.57296 0.22244 0.13143 1.00000
H7 H 0.83999 0.48933 0.86229 1.00000
Pd1 Pd 0.97325 0.35577 0.99681 1.00000
La1 La 0.36446 0.96500 0.82312 1.00000
La2 La 0.58203 0.74655 0.17050 1.00000
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