Nb3(Te4Br3)2
Alexandria ALEXAlex-ID: agm008199548 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B6C8_1_spg2
NbTeBr3 NbTe4 Te
2025-01-29 20:18:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008199548).
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 agm008199548
data_agm008199548
_cell_length_a 7.90138
_cell_length_b 11.95278
_cell_length_c 13.80647
_cell_angle_alpha 109.33615
_cell_angle_beta 101.52325
_cell_angle_gamma 83.53131
_cell_volume 1204.05213
_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
Nb1 Nb 0.61000 0.49779 0.23778 1.00000
Nb2 Nb 0.39000 0.50221 0.76222 1.00000
Nb3 Nb 0.00210 0.99824 0.12591 1.00000
Nb4 Nb 0.99790 0.00176 0.87409 1.00000
Nb5 Nb 0.00156 0.99933 0.37804 1.00000
Nb6 Nb 0.99844 0.00067 0.62196 1.00000
Te1 Te 0.22981 0.12438 0.32071 1.00000
Te2 Te 0.77019 0.87562 0.67929 1.00000
Te3 Te 0.75428 0.12034 0.24915 1.00000
Te4 Te 0.24572 0.87966 0.75085 1.00000
Te5 Te 0.76943 0.87496 0.19819 1.00000
Te6 Te 0.23057 0.12504 0.80181 1.00000
Te7 Te 0.00219 0.20606 0.06173 1.00000
Te8 Te 0.99781 0.79394 0.93827 1.00000
Te9 Te 0.28479 0.05070 0.04599 1.00000
Te10 Te 0.71521 0.94930 0.95401 1.00000
Te11 Te 0.70466 0.04997 0.47916 1.00000
Te12 Te 0.29534 0.95003 0.52084 1.00000
Te13 Te 0.96242 0.20794 0.55467 1.00000
Te14 Te 0.74203 0.11903 0.76149 1.00000
Te15 Te 0.03758 0.79206 0.44533 1.00000
Te16 Te 0.25797 0.88097 0.23851 1.00000
Br1 Br 0.18391 0.42427 0.84426 1.00000
Br2 Br 0.81609 0.57573 0.15574 1.00000
Br3 Br 0.65589 0.41609 0.85488 1.00000
Br4 Br 0.36212 0.30527 0.60980 1.00000
Br5 Br 0.42487 0.41808 0.32584 1.00000
Br6 Br 0.57513 0.58192 0.67416 1.00000
Br7 Br 0.87733 0.40432 0.33054 1.00000
Br8 Br 0.12267 0.59568 0.66946 1.00000
Br9 Br 0.59138 0.30802 0.07833 1.00000
Br10 Br 0.40862 0.69198 0.92167 1.00000
Br11 Br 0.63788 0.69473 0.39020 1.00000
Br12 Br 0.34411 0.58391 0.14512 1.00000
