TeSe3
Alexandria ALEXAlex-ID: agm005493745 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_988_spg63
TeSe2 Se
2023-03-19 04:05:04.047243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005493745).
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 agm005493745
data_agm005493745
_cell_length_a 9.35835
_cell_length_b 9.35835
_cell_length_c 3.77609
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 133.15995
_cell_volume 241.23169
_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 0.65692 0.34308 0.25000 1.00000
Te2 Te 0.34308 0.65692 0.75000 1.00000
Se1 Se 0.14082 0.85918 0.25000 1.00000
Se2 Se 0.85918 0.14082 0.75000 1.00000
Se3 Se 0.14054 0.35313 0.25000 1.00000
Se4 Se 0.85946 0.64687 0.75000 1.00000
Se5 Se 0.35313 0.14054 0.75000 1.00000
Se6 Se 0.64687 0.85946 0.25000 1.00000
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