Tl3Zn7Ag2
Alexandria ALEXAlex-ID: agm024304065 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
Zn2Ag Zn5Ag Tl
2025-05-17 17:08:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024304065).
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 agm024304065
data_agm024304065
_cell_length_a 9.28769
_cell_length_b 9.28769
_cell_length_c 9.28769
_cell_angle_alpha 35.15691
_cell_angle_beta 35.15691
_cell_angle_gamma 35.15691
_cell_volume 237.24826
_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 0.14237 0.14237 0.14237 1.00000
Tl3 Tl 0.85763 0.85763 0.85763 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.08444 0.58629 0.58629 1.00000
Zn3 Zn 0.58629 0.58629 0.08444 1.00000
Zn4 Zn 0.58629 0.08444 0.58629 1.00000
Zn5 Zn 0.91556 0.41371 0.41371 1.00000
Zn6 Zn 0.41371 0.91556 0.41371 1.00000
Zn7 Zn 0.41371 0.41371 0.91556 1.00000
Ag1 Ag 0.33217 0.33217 0.33217 1.00000
Ag2 Ag 0.66783 0.66783 0.66783 1.00000
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