Nb3BiTe
Alexandria ALEXAlex-ID: agm003732207 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6594_spg161
NbBi Nb3Te2 Nb
2022-04-30 17:01:15.521429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003732207).
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 agm003732207
data_agm003732207
_cell_length_a 14.39801
_cell_length_b 14.39801
_cell_length_c 14.39801
_cell_angle_alpha 19.36393
_cell_angle_beta 19.36394
_cell_angle_gamma 19.36394
_cell_volume 286.87639
_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 0.15533 0.49237 0.83308 1.00000
Nb2 Nb 0.83308 0.15533 0.49237 1.00000
Nb3 Nb 0.49237 0.83308 0.15533 1.00000
Nb4 Nb 0.65533 0.33308 0.99237 1.00000
Nb5 Nb 0.33308 0.99237 0.65533 1.00000
Nb6 Nb 0.99237 0.65533 0.33308 1.00000
Bi1 Bi 0.05277 0.05277 0.05277 1.00000
Bi2 Bi 0.55277 0.55277 0.55277 1.00000
Te1 Te 0.43795 0.43795 0.43795 1.00000
Te2 Te 0.93795 0.93795 0.93795 1.00000
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