Ti3TeI7
Alexandria ALEXAlex-ID: agm002190816 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_0_spg156
TiTe2 Ti3Te4 TiI3
2018-06-18 15:11:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002190816).
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 agm002190816
data_agm002190816
_cell_length_a 7.40888
_cell_length_b 7.92565
_cell_length_c 7.92565
_cell_angle_alpha 119.99876
_cell_angle_beta 89.99951
_cell_angle_gamma 90.00049
_cell_volume 403.04982
_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
I1 I 0.26661 0.32788 0.16396 1.00000
I2 I 0.70590 0.49803 0.50197 1.00000
I3 I 0.26661 0.83604 0.67212 1.00000
I4 I 0.70590 0.00397 0.50197 1.00000
I5 I 0.29250 0.33332 0.66668 1.00000
I6 I 0.26660 0.83605 0.16395 1.00000
I7 I 0.70590 0.49803 0.99603 1.00000
Te1 Te 0.75216 0.00001 0.99999 1.00000
Ti1 Ti 0.50274 0.70529 0.85264 1.00000
Ti2 Ti 0.50274 0.14736 0.29471 1.00000
Ti3 Ti 0.50275 0.14736 0.85264 1.00000
Get direct link