Lu2Ni5B4
Alexandria ALEXAlex-ID: agm002138239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_151_spg12
Lu3Ni7B2 LuNi4B Lu2(NiB2)3
2023-03-24 10:03:06.553530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002138239).
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 agm002138239
data_agm002138239
_cell_length_a 4.94739
_cell_length_b 5.47854
_cell_length_c 5.89968
_cell_angle_alpha 71.82116
_cell_angle_beta 65.21966
_cell_angle_gamma 63.23374
_cell_volume 128.12124
_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
Ni1 Ni 0.18411 0.26788 0.86500 1.00000
Ni2 Ni 0.81583 0.73214 0.13505 1.00000
Ni3 Ni 0.00016 0.49974 0.49996 1.00000
Ni4 Ni 0.68359 0.26761 0.86452 1.00000
Ni5 Ni 0.31637 0.73242 0.13553 1.00000
B1 B 0.39375 0.06103 0.15326 1.00000
B2 B 0.60616 0.93901 0.84685 1.00000
B3 B 0.77753 0.59679 0.84904 1.00000
B4 B 0.22249 0.40333 0.15077 1.00000
Lu1 Lu 0.27805 0.79008 0.65290 1.00000
Lu2 Lu 0.72195 0.20988 0.34712 1.00000
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