CsTlAg
Alexandria ALEXAlex-ID: agm005583495 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1006_spg71
CsTl Ag
2023-06-19 07:56:51.893654
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005583495).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005583495
data_agm005583495
_cell_length_a 4.44011
_cell_length_b 7.52323
_cell_length_c 8.37964
_cell_angle_alpha 116.60720
_cell_angle_beta 105.36279
_cell_angle_gamma 90.00000
_cell_volume 239.03070
_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 0.04130 0.91370 0.71179 1.00000
Cs2 Cs 0.40317 0.27588 0.43548 1.00000
Tl1 Tl 0.72195 0.37139 0.07307 1.00000
Tl2 Tl 0.72251 0.81818 0.07419 1.00000
Ag1 Ag 0.12389 0.49631 0.87692 1.00000
Ag2 Ag 0.32058 0.69327 0.27035 1.00000
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