Th4Os2Br3
Alexandria ALEXAlex-ID: agm005692636 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Th5Os3 Th2OsBr2 Th7Os3
2023-06-30 19:20:35.415050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692636).
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 agm005692636
data_agm005692636
_cell_length_a 4.17097
_cell_length_b 4.17097
_cell_length_c 18.80123
_cell_angle_alpha 90.01313
_cell_angle_beta 89.98686
_cell_angle_gamma 120.00523
_cell_volume 283.24860
_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
Th1 Th 0.33373 0.66627 0.86751 1.00000
Th2 Th 0.99948 0.00052 0.29262 1.00000
Th3 Th 0.00052 0.99948 0.70738 1.00000
Th4 Th 0.66627 0.33373 0.13249 1.00000
Os1 Os 0.66711 0.33289 0.79115 1.00000
Os2 Os 0.33289 0.66711 0.20885 1.00000
Br1 Br 0.66610 0.33389 0.40227 1.00000
Br2 Br 0.00000 0.00000 0.00000 1.00000
Br3 Br 0.33390 0.66611 0.59773 1.00000
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