Ir12Os3Ru4
Alexandria ALEXAlex-ID: agm003376964 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C12_66_spg204
Ir4Ru IrOs5 IrRu
2022-02-09 00:51:00.042382
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376964).
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 agm003376964
data_agm003376964
_cell_length_a 8.02505
_cell_length_b 8.02505
_cell_length_c 8.02505
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 397.85143
_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 0.63768 0.37285 0.73517 1.00000
Ir2 Ir 0.36232 0.62715 0.26483 1.00000
Ir3 Ir 0.36232 0.09750 0.73517 1.00000
Ir4 Ir 0.37285 0.73517 0.63768 1.00000
Ir5 Ir 0.73517 0.36232 0.09750 1.00000
Ir6 Ir 0.26483 0.36232 0.62715 1.00000
Ir7 Ir 0.09750 0.73517 0.36232 1.00000
Ir8 Ir 0.26483 0.63768 0.90250 1.00000
Ir9 Ir 0.63768 0.90250 0.26483 1.00000
Ir10 Ir 0.62715 0.26483 0.36232 1.00000
Ir11 Ir 0.73517 0.63768 0.37285 1.00000
Ir12 Ir 0.90250 0.26483 0.63768 1.00000
Os1 Os 0.50000 0.00000 0.50000 1.00000
Os2 Os 0.50000 0.50000 0.00000 1.00000
Os3 Os 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
Ru2 Ru 0.50000 0.50000 0.50000 1.00000
Ru3 Ru 0.50000 0.00000 0.00000 1.00000
Ru4 Ru 0.00000 0.50000 0.00000 1.00000
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