TiTlAg
Alexandria ALEXAlex-ID: agm003149698 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2581_spg160
Tl TiAg
2015-06-10 16:41:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003149698).
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 agm003149698
data_agm003149698
_cell_length_a 3.11645
_cell_length_b 15.15752
_cell_length_c 3.12324
_cell_angle_alpha 83.95173
_cell_angle_beta 60.36282
_cell_angle_gamma 83.84367
_cell_volume 127.25971
_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 0.98440 0.93937 0.65969 1.00000
Tl2 Tl 0.25693 0.14659 0.90763 1.00000
Ag1 Ag 0.80825 0.47857 0.47307 1.00000
Ag2 Ag 0.52773 0.32554 0.18697 1.00000
Ti1 Ti 0.09101 0.62855 0.76293 1.00000
Ti2 Ti 0.70777 0.76966 0.37987 1.00000
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