BaAgTe5
Alexandria ALEXAlex-ID: agm005756748 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_385_spg15
Ba(AgTe)2 Te BaTe
2023-07-13 19:34:39.174299
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756748).
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 agm005756748
data_agm005756748
_cell_length_a 6.88695
_cell_length_b 6.88696
_cell_length_c 12.80246
_cell_angle_alpha 76.04694
_cell_angle_beta 76.04695
_cell_angle_gamma 62.37818
_cell_volume 516.20091
_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 0.59348 0.40652 0.75000 1.00000
Ba2 Ba 0.40652 0.59348 0.25000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.19550 0.32213 0.67193 1.00000
Te2 Te 0.45867 0.78306 0.50538 1.00000
Te3 Te 0.32213 0.19550 0.17193 1.00000
Te4 Te 0.06734 0.93266 0.75000 1.00000
Te5 Te 0.21694 0.54133 0.99462 1.00000
Te6 Te 0.78306 0.45867 0.00538 1.00000
Te7 Te 0.93266 0.06734 0.25000 1.00000
Te8 Te 0.67787 0.80450 0.82807 1.00000
Te9 Te 0.54133 0.21694 0.49462 1.00000
Te10 Te 0.80450 0.67787 0.32807 1.00000
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