Cs5Tl6Ag
Alexandria ALEXAlex-ID: agm006136124 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_72_spg12
CsTl2 CsTl Ag
2023-08-16 22:09:16.659852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136124).
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 agm006136124
data_agm006136124
_cell_length_a 9.87026
_cell_length_b 8.09446
_cell_length_c 9.53372
_cell_angle_alpha 64.87996
_cell_angle_beta 79.05124
_cell_angle_gamma 63.42259
_cell_volume 616.77578
_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 0.50000 0.21593 0.56814 1.00000
Cs2 Cs 1.00000 0.63765 0.72470 1.00000
Cs3 Cs 0.00000 0.36235 0.27530 1.00000
Cs4 Cs 0.50000 0.50000 0.00000 1.00000
Cs5 Cs 0.50000 0.78407 0.43186 1.00000
Tl1 Tl 0.69178 0.96257 0.00000 1.00000
Tl2 Tl 0.82338 0.94840 0.28626 1.00000
Tl3 Tl 0.17662 0.76534 0.28626 1.00000
Tl4 Tl 0.17662 0.05160 0.71374 1.00000
Tl5 Tl 0.82338 0.23466 0.71374 1.00000
Tl6 Tl 0.30822 0.03743 1.00000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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