YH8PdRh2
Alexandria ALEXAlex-ID: agm007269342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_308_spg12
YH6Rh H8Rh3 HPd Rh
2024-03-16 07:12:08.456422
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007269342).
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 agm007269342
data_agm007269342
_cell_length_a 4.62763
_cell_length_b 4.80999
_cell_length_c 5.98855
_cell_angle_alpha 65.04863
_cell_angle_beta 89.29224
_cell_angle_gamma 61.37718
_cell_volume 103.02890
_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
Y1 Y 0.50000 0.00000 0.50000 1.00000
H1 H 0.92012 0.40639 0.43022 1.00000
H2 H 0.64828 0.22073 0.13138 1.00000
H3 H 0.11054 0.24291 0.11725 1.00000
H4 H 0.07988 0.59361 0.56978 1.00000
H5 H 0.35172 0.77927 0.86862 1.00000
H6 H 0.88946 0.75709 0.88275 1.00000
H7 H 0.60169 0.35017 0.71080 1.00000
H8 H 0.39831 0.64983 0.28920 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.28579 0.45005 0.85153 1.00000
Rh2 Rh 0.71421 0.54995 0.14847 1.00000
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