Ce3Ir2Au
Alexandria ALEXAlex-ID: agm005804975 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1122_spg36
Ce3IrAu2 CeIr
2023-08-29 12:59:27.659779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804975).
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 agm005804975
data_agm005804975
_cell_length_a 6.75100
_cell_length_b 4.98343
_cell_length_c 9.62227
_cell_angle_alpha 121.17447
_cell_angle_beta 110.53627
_cell_angle_gamma 90.00004
_cell_volume 252.62501
_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
Ce1 Ce 0.37167 0.75000 0.00000 1.00000
Ce2 Ce 0.62833 0.25000 1.00000 1.00000
Ce3 Ce 0.67555 0.90125 0.65109 1.00000
Ce4 Ce 0.02445 0.59875 0.34891 1.00000
Ce5 Ce 0.97555 0.40125 0.65109 1.00000
Ce6 Ce 0.32445 0.09875 0.34891 1.00000
Ir1 Ir 0.45609 0.44559 0.69525 1.00000
Ir2 Ir 0.23916 0.94558 0.69525 1.00000
Ir3 Ir 0.76084 0.05442 0.30475 1.00000
Ir4 Ir 0.54391 0.55441 0.30475 1.00000
Au1 Au 0.11282 0.25000 0.00000 1.00000
Au2 Au 0.88718 0.75000 1.00000 1.00000
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