Ir2Au
Alexandria ALEXAlex-ID: agm005461979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
Au Ir
2023-03-21 07:04:50.083696
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005461979).
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
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# CIF generated by HEAS from Alexandria entry agm005461979
data_agm005461979
_cell_length_a 5.31415
_cell_length_b 5.31415
_cell_length_c 6.92290
_cell_angle_alpha 73.84785
_cell_angle_beta 73.84785
_cell_angle_gamma 30.31808
_cell_volume 94.50252
_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
Ir1 Ir 0.02764 0.02764 0.67594 1.00000
Ir2 Ir 0.97236 0.97236 0.32406 1.00000
Ir3 Ir 0.69206 0.69206 0.37586 1.00000
Ir4 Ir 0.30794 0.30794 0.62414 1.00000
Au1 Au 0.63721 0.63721 0.97150 1.00000
Au2 Au 0.36279 0.36279 0.02850 1.00000
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