Te2Se3Br
Alexandria ALEXAlex-ID: agm005691595 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2309_spg2
Te2Br TeSe2 TeBr4
2023-08-24 22:12:17.582355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691595).
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 agm005691595
data_agm005691595
_cell_length_a 4.07040
_cell_length_b 8.62551
_cell_length_c 12.16727
_cell_angle_alpha 96.42931
_cell_angle_beta 92.15510
_cell_angle_gamma 94.49527
_cell_volume 422.72738
_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
Te1 Te 0.65251 0.33016 0.40908 1.00000
Te2 Te 0.34749 0.66984 0.59092 1.00000
Te3 Te 0.26323 0.07207 0.13651 1.00000
Te4 Te 0.73677 0.92793 0.86349 1.00000
Se1 Se 0.74504 0.61954 0.40392 1.00000
Se2 Se 0.25787 0.15728 0.92816 1.00000
Se3 Se 0.82661 0.30174 0.18555 1.00000
Se4 Se 0.25496 0.38046 0.59608 1.00000
Se5 Se 0.17339 0.69826 0.81445 1.00000
Se6 Se 0.74213 0.84272 0.07184 1.00000
Br1 Br 0.25151 0.98703 0.35429 1.00000
Br2 Br 0.74849 0.01297 0.64571 1.00000
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