La3Te2S
Alexandria ALEXAlex-ID: agm005757673 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
LaTe LaS
2023-08-25 05:14:26.896722
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757673).
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 agm005757673
data_agm005757673
_cell_length_a 7.65691
_cell_length_b 7.77783
_cell_length_c 7.65569
_cell_angle_alpha 80.52697
_cell_angle_beta 59.99472
_cell_angle_gamma 70.78498
_cell_volume 372.82868
_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 0.57146 0.22219 0.35379 1.00000
La2 La 0.71740 0.78407 0.00000 1.00000
La3 La 0.42854 0.77781 0.64621 1.00000
La4 La 0.07475 0.77781 0.35379 1.00000
La5 La 0.92525 0.22219 0.64621 1.00000
La6 La 0.28260 0.21593 1.00000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.50000 0.00000 1.00000
Te3 Te 0.84123 0.50000 0.31755 1.00000
Te4 Te 0.15877 0.50000 0.68245 1.00000
S1 S 0.33186 1.00000 0.33628 1.00000
S2 S 0.66814 0.00000 0.66372 1.00000
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