Tl4Ga2Ag
Alexandria ALEXAlex-ID: agm096131876 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6191_spg25
Tl Ga4Ag3 Ga
2025-04-10 18:42:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096131876).
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 agm096131876
data_agm096131876
_cell_length_a 4.64396
_cell_length_b 5.13974
_cell_length_c 8.23809
_cell_angle_alpha 87.10921
_cell_angle_beta 89.97828
_cell_angle_gamma 89.96971
_cell_volume 196.38235
_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 0.50024 0.21315 0.83192 1.00000
Tl2 Tl 0.99987 0.25891 0.32917 1.00000
Tl3 Tl 0.00007 0.69707 0.62714 1.00000
Tl4 Tl 0.49990 0.72223 0.21503 1.00000
Ga1 Ga 0.00016 0.00770 0.01332 1.00000
Ga2 Ga 0.49980 0.08452 0.50213 1.00000
Ag1 Ag 0.99997 0.51642 0.98131 1.00000
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