Be3Nb2Cu
Alexandria ALEXAlex-ID: agm043533941 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_8_spg166
Be15(Nb3Cu4)2 Be2Nb3 Be3Nb
2025-04-13 15:09:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043533941).
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 agm043533941
data_agm043533941
_cell_length_a 4.65029
_cell_length_b 4.65029
_cell_length_c 4.65029
_cell_angle_alpha 61.16509
_cell_angle_beta 61.16509
_cell_angle_gamma 61.16509
_cell_volume 72.97318
_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
Be1 Be 0.50000 0.00000 0.00000 1.00000
Be2 Be 0.00000 0.00000 0.50000 1.00000
Be3 Be 0.00000 0.50000 0.00000 1.00000
Nb1 Nb 0.37658 0.37658 0.37658 1.00000
Nb2 Nb 0.62342 0.62342 0.62342 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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