K4Te3N4
Alexandria ALEXAlex-ID: agm005705688 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_239_spg12
K4Te3N4
2023-07-02 05:10:15.284386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705688).
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 agm005705688
data_agm005705688
_cell_length_a 5.79568
_cell_length_b 6.99144
_cell_length_c 13.78655
_cell_angle_alpha 135.00117
_cell_angle_beta 102.13367
_cell_angle_gamma 90.00001
_cell_volume 377.14892
_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
K1 K 0.78630 0.33171 0.57260 1.00000
K2 K 0.21370 0.66829 0.42740 1.00000
K3 K 0.57943 0.90707 0.15886 1.00000
K4 K 0.42057 0.09293 0.84114 1.00000
Te1 Te 0.83109 0.96001 0.66218 1.00000
Te2 Te 0.16891 0.03999 0.33782 1.00000
Te3 Te 0.00000 0.50000 0.00000 1.00000
N1 N 0.60455 0.39531 0.20909 1.00000
N2 N 0.40299 0.46664 0.80598 1.00000
N3 N 0.39545 0.60469 0.79091 1.00000
N4 N 0.59701 0.53336 0.19402 1.00000
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