TlTeN
Alexandria ALEXAlex-ID: agm005609479 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9159_spg14
TlTeN2 Tl2Te3 Tl2TeN2
2023-06-19 15:05:32.270142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609479).
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 agm005609479
data_agm005609479
_cell_length_a 4.41961
_cell_length_b 8.83096
_cell_length_c 11.48351
_cell_angle_alpha 98.80895
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 442.90789
_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
Tl1 Tl 0.74987 0.39898 0.62133 1.00000
Tl2 Tl 0.24987 0.10102 0.37867 1.00000
Tl3 Tl 0.25013 0.60102 0.37867 1.00000
Tl4 Tl 0.75013 0.89898 0.62133 1.00000
Te1 Te 0.75001 0.34319 0.33913 1.00000
Te2 Te 0.25001 0.15681 0.66087 1.00000
Te3 Te 0.24999 0.65681 0.66087 1.00000
Te4 Te 0.74999 0.84319 0.33913 1.00000
N1 N 0.42376 0.01729 0.03834 1.00000
N2 N 0.92376 0.48271 0.96166 1.00000
N3 N 0.57624 0.98271 0.96166 1.00000
N4 N 0.07624 0.51729 0.03834 1.00000
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