Li5Cu6Ni
Alexandria ALEXAlex-ID: agm006136111 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_52_spg12
LiCu2 Li6Cu7 LiNi
2023-08-30 10:16:31.492326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136111).
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 agm006136111
data_agm006136111
_cell_length_a 8.63245
_cell_length_b 4.47960
_cell_length_c 4.47993
_cell_angle_alpha 60.00266
_cell_angle_beta 85.02383
_cell_angle_gamma 80.00826
_cell_volume 147.75734
_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 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.75404 0.75371 1.00000 1.00000
Cu2 Cu 0.75438 0.08213 0.32789 1.00000
Cu3 Cu 0.24562 0.58997 0.32790 1.00000
Cu4 Cu 0.24562 0.91787 0.67211 1.00000
Cu5 Cu 0.75438 0.41003 0.67210 1.00000
Cu6 Cu 0.24596 0.24629 0.00000 1.00000
Li1 Li 0.50000 0.16789 0.66422 1.00000
Li2 Li 1.00000 0.66686 0.66628 1.00000
Li3 Li 0.00000 0.33314 0.33372 1.00000
Li4 Li 0.50000 0.50000 0.00000 1.00000
Li5 Li 0.50000 0.83211 0.33578 1.00000
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