Nb4Re
Alexandria ALEXAlex-ID: agm005544982 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_73_spg166
Nb4Re
2023-05-29 00:46:29.972249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005544982).
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 agm005544982
data_agm005544982
_cell_length_a 5.45126
_cell_length_b 5.45120
_cell_length_c 7.11492
_cell_angle_alpha 139.85403
_cell_angle_beta 40.14749
_cell_angle_gamma 130.16983
_cell_volume 86.94607
_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 0.39296 0.60702 0.80344 1.00000
Nb2 Nb 0.60704 0.39298 0.19656 1.00000
Nb3 Nb 0.79381 0.20619 0.60283 1.00000
Nb4 Nb 0.20619 0.79381 0.39717 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
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