CsTl(AgCl2)2
Alexandria ALEXAlex-ID: agm004772863 · Space group: I222 (#23)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_368_spg23
TlAgCl2 CsAgCl2
2022-07-13 13:19:19.319863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004772863).
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 agm004772863
data_agm004772863
_cell_length_a 7.72765
_cell_length_b 7.07412
_cell_length_c 7.07412
_cell_angle_alpha 69.96446
_cell_angle_beta 56.89390
_cell_angle_gamma 56.89390
_cell_volume 270.80832
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.18826 0.31174 0.31174 1.00000
Ag2 Ag 0.81174 0.68826 0.68826 1.00000
Cl1 Cl 0.43616 0.09699 0.48883 1.00000
Cl2 Cl 0.02197 0.90301 0.51117 1.00000
Cl3 Cl 0.97803 0.48883 0.09699 1.00000
Cl4 Cl 0.56384 0.51117 0.90301 1.00000
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