Tl3Zn2
Alexandria ALEXAlex-ID: agm005508317 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_497_spg43
Zn Tl
2023-03-20 14:20:58.982382
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508317).
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 agm005508317
data_agm005508317
_cell_length_a 13.37294
_cell_length_b 11.79468
_cell_length_c 6.72648
_cell_angle_alpha 88.00468
_cell_angle_beta 61.81738
_cell_angle_gamma 30.17793
_cell_volume 252.99243
_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 0.56343 0.21683 0.75844 1.00000
Tl2 Tl 0.46130 0.75844 0.21683 1.00000
Tl3 Tl 0.03317 0.68657 0.78870 1.00000
Tl4 Tl 0.49156 0.78870 0.68657 1.00000
Tl5 Tl 0.96998 0.03002 0.03002 1.00000
Tl6 Tl 0.21998 0.28002 0.28002 1.00000
Zn1 Zn 0.28056 0.65917 0.33554 1.00000
Zn2 Zn 0.72473 0.33554 0.65917 1.00000
Zn3 Zn 0.59083 0.96944 0.52527 1.00000
Zn4 Zn 0.91446 0.52527 0.96944 1.00000
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