La6TeOs2Cl3
Alexandria ALEXAlex-ID: agm004614864 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_214_spg12
La6Te5Os La2Os2Cl La3OsCl3 La7Os3
2022-07-01 16:45:13.193517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004614864).
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 agm004614864
data_agm004614864
_cell_length_a 4.27341
_cell_length_b 9.12906
_cell_length_c 9.82883
_cell_angle_alpha 104.30343
_cell_angle_beta 102.55587
_cell_angle_gamma 90.00000
_cell_volume 362.08643
_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 0.32487 0.86052 0.64974 1.00000
La2 La 0.67616 0.56255 0.35232 1.00000
La3 La 0.67513 0.13948 0.35026 1.00000
La4 La 0.02320 0.27083 0.04639 1.00000
La5 La 0.97680 0.72917 0.95361 1.00000
La6 La 0.32384 0.43745 0.64768 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Os1 Os 0.83176 0.65750 0.66353 1.00000
Os2 Os 0.16824 0.34250 0.33647 1.00000
Cl1 Cl 0.50000 0.50000 0.00000 1.00000
Cl2 Cl 0.83857 0.15182 0.67713 1.00000
Cl3 Cl 0.16143 0.84818 0.32287 1.00000
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