Cs2Te4N3
Alexandria ALEXAlex-ID: agm005671546 · Space group: Cccm (#66)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1171_spg66
CsTeN2 Cs2Te5 TeN2
2023-07-03 14:07:53.163089
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671546).
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 agm005671546
data_agm005671546
_cell_length_a 11.05222
_cell_length_b 11.05222
_cell_length_c 5.73137
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 78.66911
_cell_volume 686.45061
_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
Cs1 Cs 0.75594 0.45570 0.50000 1.00000
Cs2 Cs 0.45570 0.75594 0.00000 1.00000
Cs3 Cs 0.24406 0.54430 0.50000 1.00000
Cs4 Cs 0.54430 0.24406 0.00000 1.00000
Te1 Te 0.15248 0.95116 0.50000 1.00000
Te2 Te 0.95116 0.15248 0.00000 1.00000
Te3 Te 0.84752 0.04884 0.50000 1.00000
Te4 Te 0.04884 0.84752 0.00000 1.00000
Te5 Te 0.94179 0.62290 0.00000 1.00000
Te6 Te 0.62290 0.94179 0.50000 1.00000
Te7 Te 0.05821 0.37710 0.00000 1.00000
Te8 Te 0.37710 0.05821 0.50000 1.00000
N1 N 0.82496 0.17504 0.25000 1.00000
N2 N 0.17504 0.82496 0.25000 1.00000
N3 N 0.17504 0.82496 0.75000 1.00000
N4 N 0.82496 0.17504 0.75000 1.00000
N5 N 0.50000 0.50000 0.75000 1.00000
N6 N 0.50000 0.50000 0.25000 1.00000
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