Al2In3Te4
Alexandria ALEXAlex-ID: agm005649870 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_350_spg15
AlInTe2 In
2023-06-26 17:13:57.208312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649870).
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 agm005649870
data_agm005649870
_cell_length_a 8.30685
_cell_length_b 9.00253
_cell_length_c 9.15528
_cell_angle_alpha 119.44958
_cell_angle_beta 93.40115
_cell_angle_gamma 90.00000
_cell_volume 594.80527
_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 0.51366 0.53915 0.38379 1.00000
Al2 Al 0.98634 0.15536 0.61621 1.00000
Al3 Al 0.48634 0.46085 0.61621 1.00000
Al4 Al 0.01366 0.84464 0.38379 1.00000
In1 In 0.17501 0.80603 0.76134 1.00000
In2 In 0.32499 0.04469 0.23866 1.00000
In3 In 0.82499 0.19397 0.23866 1.00000
In4 In 0.67501 0.95531 0.76134 1.00000
In5 In 0.75000 0.47767 1.00000 1.00000
In6 In 0.25000 0.52233 0.00000 1.00000
Te1 Te 0.51768 0.72453 0.92672 1.00000
Te2 Te 0.98232 0.79781 0.07328 1.00000
Te3 Te 0.48232 0.27547 0.07328 1.00000
Te4 Te 0.01768 0.20219 0.92672 1.00000
Te5 Te 0.83534 0.62675 0.43314 1.00000
Te6 Te 0.66466 0.19362 0.56686 1.00000
Te7 Te 0.16466 0.37325 0.56686 1.00000
Te8 Te 0.33534 0.80638 0.43314 1.00000
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