La6RuRh
Alexandria ALEXAlex-ID: agm005796243 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_8_spg148
La4Ru La7Rh3 La7Ru3
2023-07-25 02:40:58.288358
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005796243).
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 agm005796243
data_agm005796243
_cell_length_a 6.94080
_cell_length_b 6.94072
_cell_length_c 7.80456
_cell_angle_alpha 63.58306
_cell_angle_beta 63.60650
_cell_angle_gamma 59.99962
_cell_volume 279.39585
_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 0.08063 0.41450 0.75286 1.00000
La2 La 0.75147 0.08056 0.75318 1.00000
La3 La 0.58582 0.24834 0.24693 1.00000
La4 La 0.24853 0.91944 0.24682 1.00000
La5 La 0.91937 0.58550 0.24714 1.00000
La6 La 0.41418 0.75166 0.75307 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
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