LuTe3
Alexandria ALEXAlex-ID: agm005490375 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_221_spg11
Lu2Te3 Te
2023-03-20 11:30:51.481369
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005490375).
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 agm005490375
data_agm005490375
_cell_length_a 14.31559
_cell_length_b 14.31559
_cell_length_c 4.42603
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 163.47442
_cell_volume 258.00512
_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
Lu1 Lu 0.95037 0.04963 0.25000 1.00000
Lu2 Lu 0.04963 0.95037 0.75000 1.00000
Te1 Te 0.83953 0.16047 0.25000 1.00000
Te2 Te 0.16047 0.83953 0.75000 1.00000
Te3 Te 0.68339 0.31661 0.25000 1.00000
Te4 Te 0.31661 0.68339 0.75000 1.00000
Te5 Te 0.55324 0.44676 0.25000 1.00000
Te6 Te 0.44676 0.55324 0.75000 1.00000
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