Te4Se4I3
Alexandria ALEXAlex-ID: agm005705503 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_255_spg2
TeSe2 TeI4 TeI
2023-06-30 00:08:18.373948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705503).
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 agm005705503
data_agm005705503
_cell_length_a 7.19428
_cell_length_b 13.69222
_cell_length_c 8.82498
_cell_angle_alpha 63.97593
_cell_angle_beta 130.78680
_cell_angle_gamma 130.75130
_cell_volume 498.50018
_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
Te1 Te 0.21945 0.28239 0.79983 1.00000
Te2 Te 0.87799 0.49349 0.28951 1.00000
Te3 Te 0.78055 0.71761 0.20017 1.00000
Te4 Te 0.12201 0.50651 0.71049 1.00000
Se1 Se 0.30948 0.80189 0.35292 1.00000
Se2 Se 0.69052 0.19811 0.64708 1.00000
Se3 Se 0.50662 0.75464 0.71470 1.00000
Se4 Se 0.49338 0.24536 0.28530 1.00000
I1 I 0.84045 0.94222 0.20487 1.00000
I2 I 0.15955 0.05778 0.79513 1.00000
I3 I 0.00000 0.50000 0.00000 1.00000
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