LaYRh
Alexandria ALEXAlex-ID: agm005641765 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10965_spg14
Y7Rh3 Y5Rh3 La7Rh3
2023-06-18 17:01:31.938568
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641765).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005641765
data_agm005641765
_cell_length_a 7.05314
_cell_length_b 6.60713
_cell_length_c 7.87513
_cell_angle_alpha 90.41955
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 366.97895
_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
La1 La 0.41922 0.24058 0.88456 1.00000
La2 La 0.58078 0.75942 0.11544 1.00000
La3 La 0.91922 0.25942 0.61544 1.00000
La4 La 0.08078 0.74058 0.38456 1.00000
Y1 Y 0.92376 0.24255 0.11587 1.00000
Y2 Y 0.57624 0.74255 0.61587 1.00000
Y3 Y 0.07624 0.75745 0.88413 1.00000
Y4 Y 0.42376 0.25745 0.38413 1.00000
Rh1 Rh 0.25278 0.49942 0.64206 1.00000
Rh2 Rh 0.74722 0.50058 0.35794 1.00000
Rh3 Rh 0.24722 0.99942 0.14206 1.00000
Rh4 Rh 0.75278 0.00058 0.85794 1.00000
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