LaTe3Cl5
Alexandria ALEXAlex-ID: agm072814969 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_950_spg8
TeCl4 Te LaCl3
2024-09-24 03:30:26.408668
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072814969).
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 agm072814969
data_agm072814969
_cell_length_a 4.34145
_cell_length_b 8.79091
_cell_length_c 11.61580
_cell_angle_alpha 98.72653
_cell_angle_beta 99.70965
_cell_angle_gamma 122.97164
_cell_volume 350.33667
_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 0.37165 0.01125 0.99451 1.00000
Te1 Te 0.46698 0.63096 0.47382 1.00000
Te2 Te 0.03559 0.94804 0.38973 1.00000
Te3 Te 0.67540 0.99474 0.56668 1.00000
Cl1 Cl 0.99382 0.41815 0.57912 1.00000
Cl2 Cl 0.31046 0.86077 0.19743 1.00000
Cl3 Cl 0.39931 0.12071 0.78690 1.00000
Cl4 Cl 0.18216 0.24691 0.10596 1.00000
Cl5 Cl 0.56462 0.76848 0.90585 1.00000
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