Lu4NiRh3
Alexandria ALEXAlex-ID: agm077828663 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_311_spg25
LuNi LuRh
2025-01-09 18:53:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077828663).
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 agm077828663
data_agm077828663
_cell_length_a 3.28651
_cell_length_b 4.77418
_cell_length_c 9.54142
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 149.70887
_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 0.50000 0.74764 1.00000
Lu2 Lu 0.00000 0.50000 0.25236 1.00000
Lu3 Lu 0.00000 0.00000 0.50000 1.00000
Lu4 Lu 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.50000 0.00000 0.74953 1.00000
Rh2 Rh 0.50000 0.00000 0.25047 1.00000
Rh3 Rh 0.50000 0.50000 0.00000 1.00000
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