Na5Tl5Ag2
Alexandria ALEXAlex-ID: agm005653428 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_60_spg166
NaTl NaTl2 NaAg2
2023-06-20 16:48:41.829337
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653428).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005653428
data_agm005653428
_cell_length_a 5.24976
_cell_length_b 5.24976
_cell_length_c 13.76705
_cell_angle_alpha 79.00810
_cell_angle_beta 79.00810
_cell_angle_gamma 60.00630
_cell_volume 320.54441
_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
Na1 Na 0.50000 0.50000 0.50000 1.00000
Na2 Na 0.30597 0.30596 0.08230 1.00000
Na3 Na 0.22581 0.22581 0.32262 1.00000
Na4 Na 0.77419 0.77419 0.67738 1.00000
Na5 Na 0.69403 0.69404 0.91770 1.00000
Tl1 Tl 0.85480 0.85480 0.43571 1.00000
Tl2 Tl 0.39814 0.39814 0.80531 1.00000
Tl3 Tl 0.60186 0.60186 0.19469 1.00000
Tl4 Tl 0.14520 0.14520 0.56429 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.07268 0.07269 0.78167 1.00000
Ag2 Ag 0.92732 0.92731 0.21833 1.00000
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