La6SiTe5
Alexandria ALEXAlex-ID: agm034700292 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
La6SiTe5
2024-12-30 03:06:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034700292).
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 agm034700292
data_agm034700292
_cell_length_a 10.21608
_cell_length_b 10.21608
_cell_length_c 9.15289
_cell_angle_alpha 76.97164
_cell_angle_beta 103.02836
_cell_angle_gamma 154.35676
_cell_volume 402.20900
_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 0.65457 0.34543 0.07757 1.00000
La2 La 0.33559 0.66441 0.41663 1.00000
La3 La 0.34543 0.65457 0.92243 1.00000
La4 La 0.00104 0.99896 0.77495 1.00000
La5 La 0.99896 0.00104 0.22505 1.00000
La6 La 0.66441 0.33559 0.58337 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.50000 0.50000 0.50000 1.00000
Te2 Te 0.17103 0.82897 0.83588 1.00000
Te3 Te 0.82897 0.17103 0.16412 1.00000
Te4 Te 0.16732 0.83268 0.33480 1.00000
Te5 Te 0.83268 0.16732 0.66520 1.00000
Get direct link