Lu3Nb2Ni7
Alexandria ALEXAlex-ID: agm101950682 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
LuNi2 Nb2Ni
2025-05-17 06:52:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101950682).
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 agm101950682
data_agm101950682
_cell_length_a 8.74174
_cell_length_b 8.74174
_cell_length_c 8.74174
_cell_angle_alpha 34.06910
_cell_angle_beta 34.06910
_cell_angle_gamma 34.06910
_cell_volume 186.88694
_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
Lu1 Lu 0.00000 0.00000 0.00000 1.00000
Lu2 Lu 0.86140 0.86140 0.86140 1.00000
Lu3 Lu 0.13860 0.13860 0.13860 1.00000
Nb1 Nb 0.66727 0.66727 0.66727 1.00000
Nb2 Nb 0.33273 0.33273 0.33273 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.41305 0.41305 0.91318 1.00000
Ni3 Ni 0.91318 0.41305 0.41305 1.00000
Ni4 Ni 0.41305 0.91318 0.41305 1.00000
Ni5 Ni 0.58695 0.58695 0.08682 1.00000
Ni6 Ni 0.58695 0.08682 0.58695 1.00000
Ni7 Ni 0.08682 0.58695 0.58695 1.00000
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