Ce4TlAg2Os
Alexandria ALEXAlex-ID: agm044107985 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_167_spg166
Ce2TlAg2 Ce5TlOs2 CeAg2
2024-12-20 19:30:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044107985).
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 agm044107985
data_agm044107985
_cell_length_a 5.28521
_cell_length_b 5.28521
_cell_length_c 8.88286
_cell_angle_alpha 72.63211
_cell_angle_beta 107.36789
_cell_angle_gamma 120.41424
_cell_volume 200.92635
_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
Ce1 Ce 0.60820 0.39180 0.32092 1.00000
Ce2 Ce 0.14038 0.85962 0.92316 1.00000
Ce3 Ce 0.85962 0.14038 0.07684 1.00000
Ce4 Ce 0.39180 0.60820 0.67908 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.27046 0.72954 0.30357 1.00000
Ag2 Ag 0.72954 0.27046 0.69643 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
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