Fe5(Ir6Rh)2
Alexandria ALEXAlex-ID: agm005671512 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_363_spg12
FeIr2Rh Fe3Ir8
2023-06-23 06:56:02.147913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671512).
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 agm005671512
data_agm005671512
_cell_length_a 7.07989
_cell_length_b 6.48333
_cell_length_c 6.48333
_cell_angle_alpha 85.01295
_cell_angle_beta 74.99219
_cell_angle_gamma 74.99219
_cell_volume 277.57486
_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
Fe1 Fe 0.05149 0.23966 0.23966 1.00000
Fe2 Fe 0.39684 0.26383 0.26383 1.00000
Fe3 Fe 0.50000 0.00000 0.00000 1.00000
Fe4 Fe 0.60316 0.73617 0.73617 1.00000
Fe5 Fe 0.94851 0.76034 0.76034 1.00000
Ir1 Ir 0.81332 0.09235 0.09235 1.00000
Ir2 Ir 0.39904 0.14260 0.65842 1.00000
Ir3 Ir 0.39904 0.65842 0.14260 1.00000
Ir4 Ir 0.79489 0.05323 0.52957 1.00000
Ir5 Ir 0.79489 0.52957 0.05323 1.00000
Ir6 Ir 0.71142 0.46545 0.46545 1.00000
Ir7 Ir 0.28858 0.53455 0.53455 1.00000
Ir8 Ir 0.20511 0.94677 0.47043 1.00000
Ir9 Ir 0.20511 0.47043 0.94677 1.00000
Ir10 Ir 0.60096 0.85740 0.34158 1.00000
Ir11 Ir 0.60096 0.34158 0.85740 1.00000
Ir12 Ir 0.18668 0.90765 0.90765 1.00000
Rh1 Rh 0.00000 0.69970 0.30030 1.00000
Rh2 Rh 1.00000 0.30030 0.69970 1.00000
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