H4PdRh3
Alexandria ALEXAlex-ID: agm007117487 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1875_spg1
HPd Rh H8Rh3
2024-03-05 12:01:10.334531
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007117487).
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 agm007117487
data_agm007117487
_cell_length_a 2.88450
_cell_length_b 6.33958
_cell_length_c 4.96459
_cell_angle_alpha 51.29567
_cell_angle_beta 89.94439
_cell_angle_gamma 76.80362
_cell_volume 67.76470
_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 0.14485 0.21171 0.43340 1.00000
H2 H 0.37757 0.74492 0.15604 1.00000
H3 H 0.62243 0.25508 0.84396 1.00000
H4 H 0.85515 0.78829 0.56660 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.75006 0.00033 0.75202 1.00000
Rh2 Rh 0.24994 0.99967 0.24798 1.00000
Rh3 Rh 0.00000 0.50000 0.50000 1.00000
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