Ir9Ru
Alexandria ALEXAlex-ID: agm063750108 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_72_spg1
Ir7Ru Ir
2024-11-01 04:23:32.242028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063750108).
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 agm063750108
data_agm063750108
_cell_length_a 7.24313
_cell_length_b 7.24313
_cell_length_c 5.46910
_cell_angle_alpha 79.13500
_cell_angle_beta 79.13500
_cell_angle_gamma 30.93067
_cell_volume 144.63165
_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 0.70087 0.70087 0.89934 1.00000
Ir2 Ir 0.90076 0.90076 0.30126 1.00000
Ir3 Ir 0.09924 0.09924 0.69874 1.00000
Ir4 Ir 0.50000 0.50000 0.00000 1.00000
Ir5 Ir 0.29913 0.29913 0.10066 1.00000
Ir6 Ir 0.30083 0.30083 0.59956 1.00000
Ir7 Ir 0.90089 0.90089 0.79789 1.00000
Ir8 Ir 0.69917 0.69917 0.40044 1.00000
Ir9 Ir 0.09911 0.09911 0.20211 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
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