Al2CuTe3I
Alexandria ALEXAlex-ID: agm051369903 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3_80_spg8
AlCuTe2 AlTeI
2025-06-08 12:35:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm051369903).
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 agm051369903
data_agm051369903
_cell_length_a 7.40010
_cell_length_b 7.40010
_cell_length_c 7.54043
_cell_angle_alpha 82.10149
_cell_angle_beta 97.89851
_cell_angle_gamma 146.69247
_cell_volume 224.40612
_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
Al1 Al 0.56266 0.43734 0.18818 1.00000
Al2 Al 0.81269 0.18731 0.94360 1.00000
Cu1 Cu 0.30784 0.69216 0.44270 1.00000
Te1 Te 0.00475 0.99525 0.98245 1.00000
Te2 Te 0.24928 0.75072 0.75242 1.00000
Te3 Te 0.75121 0.24879 0.26221 1.00000
I1 I 0.49920 0.50080 0.49095 1.00000
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