La4GaIrCl2
Alexandria ALEXAlex-ID: agm004836623 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
La3Ga4Cl La3GaCl3 La10Ga5Cl4 La2IrCl
2022-07-13 13:12:01.501532
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004836623).
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 agm004836623
data_agm004836623
_cell_length_a 4.20281
_cell_length_b 7.62995
_cell_length_c 7.72425
_cell_angle_alpha 108.21278
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.28662
_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 0.50000 0.23116 0.21584 1.00000
La2 La 0.50000 0.76884 0.78416 1.00000
La3 La 0.00000 0.23253 0.77591 1.00000
La4 La 0.00000 0.76747 0.22409 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.50000 0.00000 0.50000 1.00000
Cl2 Cl 0.00000 0.50000 0.50000 1.00000
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