Be2Nb3Cu7
Alexandria ALEXAlex-ID: agm024586547 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
Be2Nb3 Cu
2025-05-15 13:13:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024586547).
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 agm024586547
data_agm024586547
_cell_length_a 7.85537
_cell_length_b 7.85537
_cell_length_c 7.85537
_cell_angle_alpha 36.57460
_cell_angle_beta 36.57460
_cell_angle_gamma 36.57460
_cell_volume 154.09450
_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 0.33319 0.33319 0.33319 1.00000
Be2 Be 0.66681 0.66681 0.66681 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.13983 0.13983 0.13983 1.00000
Nb3 Nb 0.86017 0.86017 0.86017 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.07394 0.57972 0.57972 1.00000
Cu3 Cu 0.57972 0.57972 0.07394 1.00000
Cu4 Cu 0.57972 0.07394 0.57972 1.00000
Cu5 Cu 0.92606 0.42028 0.42028 1.00000
Cu6 Cu 0.42028 0.92606 0.42028 1.00000
Cu7 Cu 0.42028 0.42028 0.92606 1.00000
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