Be3Nb2Ni
Alexandria ALEXAlex-ID: agm005683601 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_8_spg166
Be2Nb3 Be15(Nb3Ni4)2 Be3Nb
2023-08-07 05:34:27.478702
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683601).
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 agm005683601
data_agm005683601
_cell_length_a 4.70433
_cell_length_b 4.70433
_cell_length_c 4.61107
_cell_angle_alpha 90.01248
_cell_angle_beta 120.68742
_cell_angle_gamma 119.97021
_cell_volume 71.42361
_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 0.50000 0.50000 1.00000
Be2 Be 0.00000 0.00000 0.50000 1.00000
Be3 Be 0.50000 0.00000 0.50000 1.00000
Nb1 Nb 0.75419 0.37695 0.13114 1.00000
Nb2 Nb 0.24581 0.62305 0.86886 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
