LiNb2Te4Cl10O
Alexandria ALEXAlex-ID: agm005246783 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E10_36_spg1
NbCl3O NbCl5 Nb2Te4Cl10O LiCl Te
2023-05-07 15:36:36.554416
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246783).
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
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# CIF generated by HEAS from Alexandria entry agm005246783
data_agm005246783
_cell_length_a 7.27650
_cell_length_b 8.90481
_cell_length_c 9.57150
_cell_angle_alpha 97.38239
_cell_angle_beta 89.52114
_cell_angle_gamma 102.32932
_cell_volume 600.75133
_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
Li1 Li 0.55448 0.69303 0.67212 1.00000
Nb1 Nb 0.45947 0.62160 0.35847 1.00000
Nb2 Nb 0.52295 0.34492 0.62801 1.00000
Te1 Te 0.88876 0.95384 0.82396 1.00000
Te2 Te 0.94116 0.21038 0.02326 1.00000
Te3 Te 0.11339 0.82003 0.98088 1.00000
Te4 Te 0.18997 0.08780 0.16619 1.00000
Cl1 Cl 0.57433 0.19439 0.81134 1.00000
Cl2 Cl 0.60748 0.48530 0.18356 1.00000
Cl3 Cl 0.23513 0.18015 0.56156 1.00000
Cl4 Cl 0.80729 0.54548 0.71156 1.00000
Cl5 Cl 0.36441 0.50141 0.80142 1.00000
Cl6 Cl 0.70236 0.22161 0.46875 1.00000
Cl7 Cl 0.15248 0.47237 0.28568 1.00000
Cl8 Cl 0.30886 0.76837 0.54294 1.00000
Cl9 Cl 0.75060 0.78932 0.44715 1.00000
Cl10 Cl 0.43223 0.81394 0.20078 1.00000
O1 O 0.48724 0.48891 0.49666 1.00000
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