Tl3Cd7Ag2
Alexandria ALEXAlex-ID: agm027035530 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
Cd2Ag Tl5Cd2 Cd
2025-05-15 08:50:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027035530).
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 agm027035530
data_agm027035530
_cell_length_a 10.02085
_cell_length_b 10.02085
_cell_length_c 10.02085
_cell_angle_alpha 35.28135
_cell_angle_beta 35.28135
_cell_angle_gamma 35.28135
_cell_volume 299.88794
_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 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.14374 0.14374 0.14374 1.00000
Tl3 Tl 0.85626 0.85626 0.85626 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Cd2 Cd 0.07758 0.58460 0.58460 1.00000
Cd3 Cd 0.58460 0.58460 0.07758 1.00000
Cd4 Cd 0.58460 0.07758 0.58460 1.00000
Cd5 Cd 0.92242 0.41540 0.41540 1.00000
Cd6 Cd 0.41540 0.92242 0.41540 1.00000
Cd7 Cd 0.41540 0.41540 0.92242 1.00000
Ag1 Ag 0.33338 0.33338 0.33338 1.00000
Ag2 Ag 0.66662 0.66662 0.66662 1.00000
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