Li2YAlTe4
Alexandria ALEXAlex-ID: agm004869079 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
LiYTe2 LiAlTe2
2023-01-26 04:33:16.305849
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004869079).
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 agm004869079
data_agm004869079
_cell_length_a 8.48375
_cell_length_b 8.48375
_cell_length_c 8.65852
_cell_angle_alpha 120.68669
_cell_angle_beta 120.68671
_cell_angle_gamma 90.08915
_cell_volume 430.98643
_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
Li1 Li 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.50000 1.00000 0.50000 1.00000
Li3 Li 1.00000 0.00000 0.50000 1.00000
Li4 Li 0.50000 0.50000 1.00000 1.00000
Y1 Y 0.00000 0.50000 0.00000 1.00000
Y2 Y 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Al2 Al 1.00000 1.00000 1.00000 1.00000
Te1 Te 0.25705 0.76167 0.00938 1.00000
Te2 Te 0.73832 0.24295 0.49062 1.00000
Te3 Te 0.26167 0.75705 0.50939 1.00000
Te4 Te 0.74295 0.23833 0.99062 1.00000
Te5 Te 0.74415 0.75577 0.97428 1.00000
Te6 Te 0.74423 0.75585 0.52571 1.00000
Te7 Te 0.25577 0.24414 0.47428 1.00000
Te8 Te 0.25585 0.24423 0.02572 1.00000
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