Re2TeSe3
Alexandria ALEXAlex-ID: agm005691931 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1487_spg12
ReTeSe ReSe2
2023-08-24 22:00:34.843661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691931).
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 agm005691931
data_agm005691931
_cell_length_a 3.29043
_cell_length_b 8.81750
_cell_length_c 10.32392
_cell_angle_alpha 97.94547
_cell_angle_beta 80.83028
_cell_angle_gamma 79.24644
_cell_volume 286.12151
_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
Re1 Re 0.84387 0.40615 0.90611 1.00000
Re2 Re 0.15613 0.59385 0.09389 1.00000
Re3 Re 0.65325 0.10487 0.58863 1.00000
Re4 Re 0.34675 0.89513 0.41137 1.00000
Te1 Te 0.44275 0.42511 0.68939 1.00000
Te2 Te 0.55725 0.57489 0.31061 1.00000
Se1 Se 0.05096 0.11271 0.78537 1.00000
Se2 Se 0.94904 0.88729 0.21463 1.00000
Se3 Se 0.68223 0.69475 0.94079 1.00000
Se4 Se 0.31777 0.30525 0.05921 1.00000
Se5 Se 0.80159 0.81893 0.57789 1.00000
Se6 Se 0.19841 0.18107 0.42211 1.00000
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