Ac6IrRuRh2
Alexandria ALEXAlex-ID: agm004956567 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Ac6Ru2Rh Ac3Rh2 Ac2Ir Ru
2022-08-02 08:42:19.647198
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956567).
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 agm004956567
data_agm004956567
_cell_length_a 7.46581
_cell_length_b 7.46550
_cell_length_c 8.04213
_cell_angle_alpha 62.36840
_cell_angle_beta 62.37616
_cell_angle_gamma 60.05291
_cell_volume 327.98356
_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 0.58101 0.24766 0.25087 1.00000
Ac2 Ac 0.24803 0.92048 0.25087 1.00000
Ac3 Ac 0.92043 0.58063 0.25105 1.00000
Ac4 Ac 0.41740 0.74693 0.75269 1.00000
Ac5 Ac 0.74662 0.08313 0.75275 1.00000
Ac6 Ac 0.08297 0.41740 0.75279 1.00000
Ir1 Ir 0.83427 0.83432 0.49716 1.00000
Ru1 Ru 0.33632 0.33634 0.99096 1.00000
Rh1 Rh 0.49732 0.49745 0.50785 1.00000
Rh2 Rh 0.99722 0.99727 0.00822 1.00000
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