TiNbTe
Alexandria ALEXAlex-ID: agm005687989 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1304_spg71
Ti3Te4 Ti5Te4 Nb
2023-06-18 13:40:31.658400
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687989).
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 agm005687989
data_agm005687989
_cell_length_a 3.58721
_cell_length_b 5.84426
_cell_length_c 7.16678
_cell_angle_alpha 106.87501
_cell_angle_beta 104.49227
_cell_angle_gamma 90.00345
_cell_volume 138.77494
_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 0.37239 0.98489 0.74477 1.00000
Ti2 Ti 0.62761 0.01511 0.25523 1.00000
Nb1 Nb 0.98387 0.76659 0.96779 1.00000
Nb2 Nb 0.01613 0.23341 0.03221 1.00000
Te1 Te 0.82650 0.31762 0.65301 1.00000
Te2 Te 0.17350 0.68238 0.34699 1.00000
Get direct link