LaPaIr
Alexandria ALEXAlex-ID: agm005668662 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_230_spg8
La7Ir3 PaIr Pa
2023-06-17 18:16:14.589326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668662).
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 agm005668662
data_agm005668662
_cell_length_a 3.60395
_cell_length_b 5.76011
_cell_length_c 7.94362
_cell_angle_alpha 64.08800
_cell_angle_beta 76.88428
_cell_angle_gamma 71.84021
_cell_volume 140.14030
_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 0.53357 0.36402 0.52122 1.00000
La2 La 0.82607 0.92485 0.37483 1.00000
Pa1 Pa 0.51638 0.89871 0.02138 1.00000
Pa2 Pa 0.84318 0.39011 0.87469 1.00000
Ir1 Ir 0.18555 0.83410 0.74685 1.00000
Ir2 Ir 0.17402 0.45472 0.14923 1.00000
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