Ir3RuPt
Alexandria ALEXAlex-ID: agm005757702 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8648_spg14
Ir4Ru IrRu Pt
2023-07-05 15:29:01.133952
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757702).
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 agm005757702
data_agm005757702
_cell_length_a 8.10847
_cell_length_b 5.41768
_cell_length_c 7.49113
_cell_angle_alpha 89.60755
_cell_angle_beta 89.99953
_cell_angle_gamma 89.99922
_cell_volume 329.07107
_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 0.91467 0.09962 0.62142 1.00000
Ir2 Ir 0.08533 0.90038 0.37858 1.00000
Ir3 Ir 0.41466 0.90040 0.87859 1.00000
Ir4 Ir 0.58534 0.09960 0.12141 1.00000
Ir5 Ir 0.41777 0.87194 0.37040 1.00000
Ir6 Ir 0.58223 0.12806 0.62960 1.00000
Ir7 Ir 0.91777 0.12806 0.12960 1.00000
Ir8 Ir 0.08223 0.87194 0.87040 1.00000
Ir9 Ir 0.91703 0.62437 0.13300 1.00000
Ir10 Ir 0.08297 0.37563 0.86700 1.00000
Ir11 Ir 0.41704 0.37563 0.36700 1.00000
Ir12 Ir 0.58296 0.62437 0.63300 1.00000
Ru1 Ru 0.74859 0.87330 0.37504 1.00000
Ru2 Ru 0.25141 0.12670 0.62496 1.00000
Ru3 Ru 0.24859 0.12670 0.12497 1.00000
Ru4 Ru 0.75141 0.87330 0.87503 1.00000
Pt1 Pt 0.24732 0.61209 0.62530 1.00000
Pt2 Pt 0.75268 0.38791 0.37470 1.00000
Pt3 Pt 0.74732 0.38791 0.87470 1.00000
Pt4 Pt 0.25268 0.61209 0.12530 1.00000
