ReIrCl2
Alexandria ALEXAlex-ID: agm002814366 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
ReIr8 ReIr2 ReCl3
2016-02-02 01:12:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002814366).
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 agm002814366
data_agm002814366
_cell_length_a 4.11428
_cell_length_b 4.11428
_cell_length_c 8.35760
_cell_angle_alpha 75.75077
_cell_angle_beta 75.75077
_cell_angle_gamma 90.00000
_cell_volume 132.62419
_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
Re1 Re 0.50000 0.50000 0.00000 1.00000
Re2 Re 0.25000 0.75000 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.75000 0.25000 0.50000 1.00000
Cl1 Cl 0.61502 0.12500 0.25000 1.00000
Cl2 Cl 0.13498 0.62500 0.25000 1.00000
Cl3 Cl 0.37500 0.38498 0.75000 1.00000
Cl4 Cl 0.87500 0.86502 0.75000 1.00000
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