Re2Ir4Os3
Alexandria ALEXAlex-ID: agm005692000 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_842_spg2
ReIr2 Os
2023-06-28 01:31:31.364698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692000).
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 agm005692000
data_agm005692000
_cell_length_a 4.79198
_cell_length_b 8.51480
_cell_length_c 7.05158
_cell_angle_alpha 71.50530
_cell_angle_beta 89.91691
_cell_angle_gamma 73.79831
_cell_volume 260.82686
_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 0.66694 0.83493 0.58439 1.00000
Re2 Re 0.88715 0.38877 0.13798 1.00000
Re3 Re 0.33306 0.16507 0.41561 1.00000
Re4 Re 0.11285 0.61123 0.86202 1.00000
Ir1 Ir 0.55326 0.05865 0.80215 1.00000
Ir2 Ir 0.99912 0.16615 0.91894 1.00000
Ir3 Ir 0.44674 0.94135 0.19785 1.00000
Ir4 Ir 0.00088 0.83385 0.08106 1.00000
Ir5 Ir 0.22178 0.71889 0.47643 1.00000
Ir6 Ir 0.33197 0.50045 0.25019 1.00000
Ir7 Ir 0.77822 0.28111 0.52357 1.00000
Ir8 Ir 0.66803 0.49955 0.74981 1.00000
Os1 Os 0.11141 0.94272 0.69261 1.00000
Os2 Os 0.44352 0.27755 0.03041 1.00000
Os3 Os 0.88859 0.05728 0.30739 1.00000
Os4 Os 0.55648 0.72245 0.96959 1.00000
Os5 Os 0.21935 0.38865 0.63993 1.00000
Os6 Os 0.78065 0.61135 0.36007 1.00000
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