NbTeBr
Alexandria ALEXAlex-ID: agm005607441 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_274_spg12
NbTe2 Nb3TeBr7 Nb3Te4
2023-06-20 13:14:09.894226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607441).
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 agm005607441
data_agm005607441
_cell_length_a 8.04618
_cell_length_b 8.04618
_cell_length_c 6.42043
_cell_angle_alpha 75.50485
_cell_angle_beta 75.50485
_cell_angle_gamma 25.11311
_cell_volume 170.51214
_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 0.24606 0.24606 0.68876 1.00000
Nb2 Nb 0.75394 0.75394 0.31124 1.00000
Te1 Te 0.60988 0.60988 0.66027 1.00000
Te2 Te 0.39012 0.39012 0.33973 1.00000
Br1 Br 0.84488 0.84488 0.86479 1.00000
Br2 Br 0.15512 0.15512 0.13521 1.00000
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