Ac6Ir2Au
Alexandria ALEXAlex-ID: agm003498567 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_992_spg12
Ac3IrAu Ac7Au3 Ac2Ir
2022-02-27 19:26:04.683498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003498567).
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 agm003498567
data_agm003498567
_cell_length_a 5.84575
_cell_length_b 7.63312
_cell_length_c 9.45331
_cell_angle_alpha 69.32078
_cell_angle_beta 71.98954
_cell_angle_gamma 67.48532
_cell_volume 357.10145
_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 0.69500 0.69865 0.91134 1.00000
Ac2 Ac 0.30500 0.30135 0.08866 1.00000
Ac3 Ac 0.98126 0.82930 0.20819 1.00000
Ac4 Ac 0.34964 0.72693 0.57379 1.00000
Ac5 Ac 0.01874 0.17070 0.79181 1.00000
Ac6 Ac 0.65036 0.27307 0.42621 1.00000
Ir1 Ir 0.18065 0.73733 0.90136 1.00000
Ir2 Ir 0.81935 0.26267 0.09864 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
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