Tl2AgCl3
Alexandria ALEXAlex-ID: agm097598379 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_504_spg1
Tl2AgCl3
2025-04-15 00:22:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097598379).
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 agm097598379
data_agm097598379
_cell_length_a 4.39917
_cell_length_b 4.31419
_cell_length_c 10.80676
_cell_angle_alpha 89.11405
_cell_angle_beta 86.05787
_cell_angle_gamma 91.57527
_cell_volume 204.50613
_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 0.49100 0.14567 0.29941 1.00000
Tl2 Tl 0.92338 0.60498 0.69955 1.00000
Ag1 Ag 0.21145 0.37598 0.99921 1.00000
Cl1 Cl 0.00544 0.64890 0.17300 1.00000
Cl2 Cl 0.40967 0.09075 0.82744 1.00000
Cl3 Cl 0.45906 0.63372 0.50138 1.00000
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