TlAgSe2
Alexandria ALEXAlex-ID: agm003787477 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7575_spg8
TlAgSe2
2023-02-27 10:39:04.282671
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003787477).
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 agm003787477
data_agm003787477
_cell_length_a 6.59778
_cell_length_b 6.59778
_cell_length_c 6.91513
_cell_angle_alpha 105.47679
_cell_angle_beta 105.47679
_cell_angle_gamma 25.97990
_cell_volume 126.82268
_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
Ag1 Ag 0.32965 0.32965 0.98238 1.00000
Se1 Se 0.98607 0.98607 0.22061 1.00000
Se2 Se 0.71790 0.71790 0.67216 1.00000
Tl1 Tl 0.46638 0.46638 0.62485 1.00000
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