Ac4Cu2Ir
Alexandria ALEXAlex-ID: agm096089092 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_111_spg111
AcCu2 Ac2Ir Ac
2025-04-10 18:37:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096089092).
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
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# CIF generated by HEAS from Alexandria entry agm096089092
data_agm096089092
_cell_length_a 7.11161
_cell_length_b 4.48712
_cell_length_c 7.43331
_cell_angle_alpha 89.99500
_cell_angle_beta 88.49798
_cell_angle_gamma 90.01299
_cell_volume 237.12014
_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
Ac1 Ac 0.26801 0.49999 0.84569 1.00000
Ac2 Ac 0.24927 0.00001 0.32941 1.00000
Ac3 Ac 0.74933 0.00000 0.66999 1.00000
Ac4 Ac 0.73297 0.50001 0.15464 1.00000
Cu1 Cu 0.99995 0.99999 0.99895 1.00000
Cu2 Cu 0.99992 0.50001 0.50088 1.00000
Ir1 Ir 0.50055 0.99999 0.00045 1.00000
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