La2Al5Rh3
Alexandria ALEXAlex-ID: agm005609233 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_1_spg72
LaAl2Rh AlRh
2023-06-13 19:47:18.092170
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609233).
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 agm005609233
data_agm005609233
_cell_length_a 5.80322
_cell_length_b 8.74517
_cell_length_c 8.74517
_cell_angle_alpha 72.55231
_cell_angle_beta 70.62220
_cell_angle_gamma 70.62220
_cell_volume 385.87676
_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 0.14195 0.58021 0.13588 1.00000
La2 La 0.64195 0.13588 0.58021 1.00000
La3 La 0.85805 0.41979 0.86412 1.00000
La4 La 0.35805 0.86412 0.41979 1.00000
Al1 Al 0.41325 0.25351 0.91999 1.00000
Al2 Al 0.91325 0.91999 0.25351 1.00000
Al3 Al 0.58675 0.74649 0.08001 1.00000
Al4 Al 0.08675 0.08001 0.74649 1.00000
Al5 Al 0.45674 0.79326 0.79326 1.00000
Al6 Al 0.54326 0.20674 0.20674 1.00000
Al7 Al 0.75000 0.50000 0.50000 1.00000
Al8 Al 0.25000 0.50000 0.50000 1.00000
Al9 Al 0.04326 0.20674 0.20674 1.00000
Al10 Al 0.95674 0.79326 0.79326 1.00000
Rh1 Rh 0.35515 0.54811 0.74159 1.00000
Rh2 Rh 0.85515 0.74159 0.54811 1.00000
Rh3 Rh 0.64485 0.45189 0.25841 1.00000
Rh4 Rh 0.14485 0.25841 0.45189 1.00000
Rh5 Rh 0.25000 0.00000 0.00000 1.00000
Rh6 Rh 0.75000 0.00000 0.00000 1.00000
