Fe3(IrRh)4
Alexandria ALEXAlex-ID: agm005706348 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_146_spg12
FeIr2Rh Fe2(IrRh)3 Fe2Rh
2023-06-29 19:52:19.593875
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706348).
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 agm005706348
data_agm005706348
_cell_length_a 2.69887
_cell_length_b 6.97133
_cell_length_c 9.15112
_cell_angle_alpha 112.38917
_cell_angle_beta 98.49149
_cell_angle_gamma 89.99999
_cell_volume 157.15382
_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 0.88844 0.88887 0.77775 1.00000
Fe2 Fe 0.11156 0.11113 0.22225 1.00000
Fe3 Fe 0.00000 0.50000 0.00000 1.00000
Ir1 Ir 0.64416 0.45440 0.28794 1.00000
Ir2 Ir 0.35584 0.16645 0.71206 1.00000
Ir3 Ir 0.35584 0.54560 0.71206 1.00000
Ir4 Ir 0.64416 0.83355 0.28794 1.00000
Rh1 Rh 0.74450 0.24476 0.48952 1.00000
Rh2 Rh 0.25550 0.75524 0.51048 1.00000
Rh3 Rh 0.50000 0.81439 1.00000 1.00000
Rh4 Rh 0.50000 0.18561 0.00000 1.00000
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