LaI5Br3
Alexandria ALEXAlex-ID: agm072394375 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1346_spg8
I LaBr3
2024-09-23 19:30:16.539191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072394375).
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
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# CIF generated by HEAS from Alexandria entry agm072394375
data_agm072394375
_cell_length_a 5.31128
_cell_length_b 7.77893
_cell_length_c 10.25199
_cell_angle_alpha 94.73558
_cell_angle_beta 102.38157
_cell_angle_gamma 90.00725
_cell_volume 412.23866
_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 0.01636 0.12330 0.04180 1.00000
I1 I 0.15038 0.30814 0.36970 1.00000
I2 I 0.04302 0.55006 0.10562 1.00000
I3 I 0.94511 0.72414 0.86414 1.00000
I4 I 0.57216 0.95594 0.17510 1.00000
I5 I 0.44561 0.22533 0.87055 1.00000
Br1 Br 0.66396 0.38162 0.40277 1.00000
Br2 Br 0.83803 0.87841 0.60048 1.00000
Br3 Br 0.32536 0.85305 0.56984 1.00000
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