Li2TlAg8
Alexandria ALEXAlex-ID: agm005990384 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
LiAg3 Ag Tl
2023-10-20 14:48:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990384).
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 agm005990384
data_agm005990384
_cell_length_a 4.47781
_cell_length_b 7.15785
_cell_length_c 7.61514
_cell_angle_alpha 118.03307
_cell_angle_beta 107.09799
_cell_angle_gamma 89.99998
_cell_volume 203.13806
_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
Li1 Li 0.20148 0.70145 0.40296 1.00000
Li2 Li 0.79852 0.29855 0.59704 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.65489 0.85924 0.30977 1.00000
Ag2 Ag 0.34511 0.54946 0.69022 1.00000
Ag3 Ag 0.15624 0.15623 0.31248 1.00000
Ag4 Ag 0.99999 0.30671 0.99999 1.00000
Ag5 Ag 0.84376 0.84377 0.68752 1.00000
Ag6 Ag 0.65489 0.45054 0.30978 1.00000
Ag7 Ag 0.34511 0.14076 0.69023 1.00000
Ag8 Ag 0.00001 0.69329 0.00001 1.00000
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