Ba(Tl3Ag)2
Alexandria ALEXAlex-ID: agm097449770 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6236_spg6
Ba3Tl11 Ag Tl
2025-04-06 17:01:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097449770).
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 agm097449770
data_agm097449770
_cell_length_a 5.31087
_cell_length_b 5.74057
_cell_length_c 8.77261
_cell_angle_alpha 91.68885
_cell_angle_beta 89.94852
_cell_angle_gamma 89.89874
_cell_volume 267.33765
_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
Ba1 Ba 0.55641 0.39980 0.98112 1.00000
Tl1 Tl 0.55158 0.88206 0.28999 1.00000
Tl2 Tl 0.55838 0.38392 0.49267 1.00000
Tl3 Tl 0.55740 0.90818 0.69302 1.00000
Tl4 Tl 0.05230 0.90207 0.07675 1.00000
Tl5 Tl 0.05799 0.56908 0.69801 1.00000
Tl6 Tl 0.05760 0.41754 0.28415 1.00000
Ag1 Ag 0.05768 0.09525 0.77584 1.00000
Ag2 Ag 0.05067 0.94210 0.45845 1.00000
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