La8Ga3IrI4
Alexandria ALEXAlex-ID: agm004734873 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
La2Ga2I La5Ga3 La3GaI3 La2IrI
2022-07-05 09:39:32.311521
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004734873).
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 agm004734873
data_agm004734873
_cell_length_a 8.75819
_cell_length_b 9.48448
_cell_length_c 8.97855
_cell_angle_alpha 119.35631
_cell_angle_beta 119.19139
_cell_angle_gamma 90.00000
_cell_volume 538.74113
_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 0.22091 0.69417 0.97325 1.00000
La2 La 0.23391 0.70983 0.46781 1.00000
La3 La 0.26137 0.28122 0.52275 1.00000
La4 La 0.75234 0.69417 0.97325 1.00000
La5 La 0.24766 0.30583 0.02675 1.00000
La6 La 0.73863 0.71878 0.47725 1.00000
La7 La 0.76609 0.29017 0.53219 1.00000
La8 La 0.77909 0.30583 0.02675 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Ga2 Ga 0.50000 0.50000 0.50000 1.00000
Ga3 Ga 0.00000 0.50000 0.50000 1.00000
Ir1 Ir 0.00000 0.50000 0.00000 1.00000
I1 I 0.50000 0.00000 0.00000 1.00000
I2 I 0.50000 0.00000 0.50000 1.00000
I3 I 0.00000 0.00000 0.00000 1.00000
I4 I 0.00000 0.00000 0.50000 1.00000
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