Ba2Tl3In4Ag
Alexandria ALEXAlex-ID: agm004530459 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_7_spg115
Ba2Tl6In BaIn3Ag Ba2In7Ag Tl
2022-06-21 00:52:30.230563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004530459).
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 agm004530459
data_agm004530459
_cell_length_a 5.03455
_cell_length_b 5.03455
_cell_length_c 12.40314
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 314.37858
_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 0.50000 0.00000 0.25647 1.00000
Ba2 Ba 0.00000 0.50000 0.74353 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Tl2 Tl 0.50000 0.00000 0.85806 1.00000
Tl3 Tl 0.00000 0.50000 0.14194 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
In3 In 0.50000 0.00000 0.62242 1.00000
In4 In 0.00000 0.50000 0.37758 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
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