La2CuIr2
Alexandria ALEXAlex-ID: agm003400568 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_18_spg15
Cu LaIr
2022-02-10 07:19:46.787447
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003400568).
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 agm003400568
data_agm003400568
_cell_length_a 5.69595
_cell_length_b 5.69595
_cell_length_c 8.23202
_cell_angle_alpha 75.38473
_cell_angle_beta 75.38473
_cell_angle_gamma 58.80563
_cell_volume 218.67014
_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
La1 La 0.50066 0.20488 0.14960 1.00000
La2 La 0.79512 0.49934 0.35040 1.00000
La3 La 0.49934 0.79512 0.85040 1.00000
La4 La 0.20488 0.50066 0.64960 1.00000
Cu1 Cu 0.13474 0.86526 0.25000 1.00000
Cu2 Cu 0.86526 0.13474 0.75000 1.00000
Ir1 Ir 0.72431 0.01160 0.51829 1.00000
Ir2 Ir 0.98840 0.27569 0.98171 1.00000
Ir3 Ir 0.27569 0.98840 0.48171 1.00000
Ir4 Ir 0.01160 0.72431 0.01829 1.00000
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