Dy4Tl3Ag2
Alexandria ALEXAlex-ID: agm005667355 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
DyTl DyAg2
2023-07-03 11:24:13.426932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667355).
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 agm005667355
data_agm005667355
_cell_length_a 5.14175
_cell_length_b 5.14175
_cell_length_c 10.30512
_cell_angle_alpha 90.00579
_cell_angle_beta 90.00579
_cell_angle_gamma 59.95756
_cell_volume 235.84109
_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
Dy1 Dy 0.66663 0.66663 0.11118 1.00000
Dy2 Dy 0.00017 0.00017 0.67565 1.00000
Dy3 Dy 0.99983 0.99983 0.32435 1.00000
Dy4 Dy 0.33337 0.33337 0.88882 1.00000
Tl1 Tl 0.33341 0.33341 0.55647 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Tl3 Tl 0.66659 0.66659 0.44353 1.00000
Ag1 Ag 0.33345 0.33345 0.18796 1.00000
Ag2 Ag 0.66655 0.66655 0.81204 1.00000
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