Ir2Os2Pt
Alexandria ALEXAlex-ID: agm005873232 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
Ir8Os IrOs5 Pt
2023-08-05 19:10:49.635924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005873232).
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 agm005873232
data_agm005873232
_cell_length_a 3.57837
_cell_length_b 3.57852
_cell_length_c 6.83737
_cell_angle_alpha 105.17028
_cell_angle_beta 105.16960
_cell_angle_gamma 90.00001
_cell_volume 81.33818
_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 0.59860 0.59860 0.19720 1.00000
Ir2 Ir 0.40140 0.40140 0.80280 1.00000
Os1 Os 0.75000 0.25000 0.50000 1.00000
Os2 Os 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
