La5Ga2Ir
Alexandria ALEXAlex-ID: agm005897005 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_138_spg55
La5Ga3 La7Ir3 LaGa
2023-08-25 04:06:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005897005).
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 agm005897005
data_agm005897005
_cell_length_a 4.78688
_cell_length_b 8.11319
_cell_length_c 12.29344
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 477.43822
_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 0.00000 0.00000 0.50000 1.00000
La2 La 0.00000 0.50000 0.00000 1.00000
La3 La 0.00000 0.85507 0.20565 1.00000
La4 La 0.00000 0.14493 0.79435 1.00000
La5 La 0.00000 0.64493 0.70565 1.00000
La6 La 0.00000 0.35507 0.29435 1.00000
La7 La 0.50000 0.68662 0.42566 1.00000
La8 La 0.50000 0.31338 0.57434 1.00000
La9 La 0.50000 0.81338 0.92566 1.00000
La10 La 0.50000 0.18662 0.07434 1.00000
Ga1 Ga 0.50000 0.57174 0.16639 1.00000
Ga2 Ga 0.50000 0.42826 0.83361 1.00000
Ga3 Ga 0.50000 0.92826 0.66639 1.00000
Ga4 Ga 0.50000 0.07174 0.33361 1.00000
Ir1 Ir 0.00000 0.50000 0.50000 1.00000
Ir2 Ir 0.00000 0.00000 0.00000 1.00000
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