Ac2Al5Rh3
Alexandria ALEXAlex-ID: agm005609273 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_1_spg72
AcAl2Rh AlRh
2023-06-13 19:45:57.199668
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609273).
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 agm005609273
data_agm005609273
_cell_length_a 5.91811
_cell_length_b 8.86910
_cell_length_c 8.86910
_cell_angle_alpha 73.69681
_cell_angle_beta 70.51034
_cell_angle_gamma 70.51034
_cell_volume 406.11894
_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
Ac1 Ac 0.14030 0.58357 0.13583 1.00000
Ac2 Ac 0.64030 0.13583 0.58357 1.00000
Ac3 Ac 0.85970 0.41643 0.86417 1.00000
Ac4 Ac 0.35970 0.86417 0.41643 1.00000
Al1 Al 0.40987 0.24733 0.93293 1.00000
Al2 Al 0.90987 0.93293 0.24733 1.00000
Al3 Al 0.59013 0.75267 0.06707 1.00000
Al4 Al 0.09013 0.06707 0.75267 1.00000
Al5 Al 0.46196 0.78804 0.78804 1.00000
Al6 Al 0.53804 0.21196 0.21196 1.00000
Al7 Al 0.75000 0.50000 0.50000 1.00000
Al8 Al 0.25000 0.50000 0.50000 1.00000
Al9 Al 0.03804 0.21196 0.21196 1.00000
Al10 Al 0.96196 0.78804 0.78804 1.00000
Rh1 Rh 0.35900 0.53916 0.74284 1.00000
Rh2 Rh 0.85900 0.74284 0.53916 1.00000
Rh3 Rh 0.64100 0.46084 0.25716 1.00000
Rh4 Rh 0.14100 0.25716 0.46084 1.00000
Rh5 Rh 0.25000 0.00000 0.00000 1.00000
Rh6 Rh 0.75000 0.00000 0.00000 1.00000
