Ac3LaIr2
Alexandria ALEXAlex-ID: agm005688697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_986_spg12
La2Ir Ac2Ir
2023-08-19 05:24:11.203822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688697).
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 agm005688697
data_agm005688697
_cell_length_a 4.39064
_cell_length_b 9.40586
_cell_length_c 11.32985
_cell_angle_alpha 81.08096
_cell_angle_beta 78.76038
_cell_angle_gamma 76.49062
_cell_volume 443.27455
_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 0.06235 0.06919 0.80543 1.00000
Ac2 Ac 0.93765 0.93081 0.19457 1.00000
Ac3 Ac 0.68830 0.67768 0.94617 1.00000
Ac4 Ac 0.31170 0.32232 0.05383 1.00000
Ac5 Ac 0.81372 0.81739 0.55487 1.00000
Ac6 Ac 0.18628 0.18261 0.44513 1.00000
La1 La 0.44123 0.41685 0.69985 1.00000
La2 La 0.55877 0.58315 0.30015 1.00000
Ir1 Ir 0.87659 0.37572 0.87072 1.00000
Ir2 Ir 0.12341 0.62428 0.12928 1.00000
Ir3 Ir 0.62427 0.12577 0.62546 1.00000
Ir4 Ir 0.37573 0.87423 0.37454 1.00000
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