Fe(Ir4Os)2
Alexandria ALEXAlex-ID: agm005991196 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
FeIr7 Ir8Os IrOs5
2023-10-14 07:36:58.429348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991196).
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 agm005991196
data_agm005991196
_cell_length_a 3.93421
_cell_length_b 7.27167
_cell_length_c 7.11369
_cell_angle_alpha 120.73770
_cell_angle_beta 106.05283
_cell_angle_gamma 90.00000
_cell_volume 165.62062
_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 0.65791 0.89311 0.31582 1.00000
Ir2 Ir 0.34210 0.57729 0.68419 1.00000
Ir3 Ir 0.15750 0.15750 0.31500 1.00000
Ir4 Ir 1.00000 0.29623 0.99999 1.00000
Ir5 Ir 0.84250 0.84250 0.68500 1.00000
Ir6 Ir 0.65790 0.42271 0.31581 1.00000
Ir7 Ir 0.34209 0.10689 0.68418 1.00000
Ir8 Ir 0.00000 0.70377 0.00001 1.00000
Os1 Os 0.18789 0.68789 0.37579 1.00000
Os2 Os 0.81211 0.31211 0.62421 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
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