Li2Te3I7
Alexandria ALEXAlex-ID: agm101378293 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_986_spg1
TeI TeI4 LiI
2025-05-16 22:16:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101378293).
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 agm101378293
data_agm101378293
_cell_length_a 7.67607
_cell_length_b 7.43635
_cell_length_c 13.37355
_cell_angle_alpha 98.90966
_cell_angle_beta 116.31773
_cell_angle_gamma 114.89391
_cell_volume 563.28378
_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 0.62329 0.27438 0.01641 1.00000
Li2 Li 0.25898 0.64082 0.03633 1.00000
Te1 Te 0.86942 0.88462 0.99152 1.00000
Te2 Te 0.24342 0.20261 0.59455 1.00000
Te3 Te 0.86849 0.79475 0.43886 1.00000
I1 I 0.01642 0.51759 0.49757 1.00000
I2 I 0.40986 0.38377 0.12951 1.00000
I3 I 0.72238 0.02472 0.14672 1.00000
I4 I 0.06394 0.69485 0.16322 1.00000
I5 I 0.28376 0.32416 0.82070 1.00000
I6 I 0.97310 0.69913 0.83364 1.00000
I7 I 0.66694 0.05861 0.83099 1.00000
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