La3IrRh
Alexandria ALEXAlex-ID: agm005745238 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6500_spg12
La5Ir3 La4Rh3
2023-07-05 17:14:55.083698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005745238).
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 agm005745238
data_agm005745238
_cell_length_a 4.30343
_cell_length_b 10.77017
_cell_length_c 7.76746
_cell_angle_alpha 61.17624
_cell_angle_beta 73.91777
_cell_angle_gamma 78.47563
_cell_volume 302.12557
_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 0.03295 0.19863 0.73547 1.00000
La2 La 0.96705 0.80137 0.26453 1.00000
La3 La 0.64345 0.49137 0.22173 1.00000
La4 La 0.35655 0.50863 0.77827 1.00000
La5 La 0.69552 0.86759 0.74138 1.00000
La6 La 0.30448 0.13241 0.25862 1.00000
Ir1 Ir 0.16315 0.68312 0.99058 1.00000
Ir2 Ir 0.83685 0.31688 0.00942 1.00000
Rh1 Rh 0.33796 0.81560 0.50849 1.00000
Rh2 Rh 0.66204 0.18440 0.49151 1.00000
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