Tl5Os4
Alexandria ALEXAlex-ID: agm005505070 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_51_spg139
Os Tl
2023-03-20 08:43:45.487111
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505070).
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 agm005505070
data_agm005505070
_cell_length_a 7.79076
_cell_length_b 7.79076
_cell_length_c 7.79076
_cell_angle_alpha 92.96357
_cell_angle_beta 92.96357
_cell_angle_gamma 153.71441
_cell_volume 203.92229
_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
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.33071 0.66929 0.00000 1.00000
Tl3 Tl 0.66929 0.33071 0.00000 1.00000
Tl4 Tl 0.66929 0.66929 0.33857 1.00000
Tl5 Tl 0.33071 0.33071 0.66143 1.00000
Os1 Os 0.37577 0.00000 0.37577 1.00000
Os2 Os 0.62423 0.00000 0.62423 1.00000
Os3 Os 0.00000 0.62423 0.62423 1.00000
Os4 Os 0.00000 0.37577 0.37577 1.00000
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