La6Ir2RuRh
Alexandria ALEXAlex-ID: agm004956563 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
La5Ir3 La5Ru3 LaRh
2022-08-02 08:49:10.026045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956563).
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 agm004956563
data_agm004956563
_cell_length_a 7.22910
_cell_length_b 7.23004
_cell_length_c 7.76391
_cell_angle_alpha 62.27746
_cell_angle_beta 62.28301
_cell_angle_gamma 60.05367
_cell_volume 296.56188
_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 0.57775 0.25231 0.24992 1.00000
La2 La 0.25271 0.92011 0.24988 1.00000
La3 La 0.92008 0.57756 0.24971 1.00000
La4 La 0.41335 0.74872 0.75435 1.00000
La5 La 0.74846 0.08388 0.75421 1.00000
La6 La 0.08352 0.41344 0.75420 1.00000
Ir1 Ir 0.49786 0.49796 0.50630 1.00000
Ir2 Ir 0.99633 0.99628 0.01114 1.00000
Ru1 Ru 0.33650 0.33604 0.99104 1.00000
Rh1 Rh 0.83502 0.83531 0.49446 1.00000
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