TiTeI2
Alexandria ALEXAlex-ID: agm005751733 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_3533_spg1
TiTe2 TiI4
2023-07-13 17:23:42.898065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751733).
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 agm005751733
data_agm005751733
_cell_length_a 3.47402
_cell_length_b 7.84742
_cell_length_c 7.41463
_cell_angle_alpha 123.08115
_cell_angle_beta 90.00000
_cell_angle_gamma 102.78822
_cell_volume 163.35480
_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
Ti1 Ti 0.75187 0.50374 0.37521 1.00000
Te1 Te 0.39734 0.79469 0.39410 1.00000
I1 I 0.09943 0.19887 0.06090 1.00000
I2 I 0.25135 0.50270 0.66979 1.00000
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