Li2(CuNi)5
Alexandria ALEXAlex-ID: agm005648392 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_162_spg2
Li5Ni6 LiNi7 Cu
2023-06-19 02:46:08.357143
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648392).
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 agm005648392
data_agm005648392
_cell_length_a 2.49912
_cell_length_b 6.72416
_cell_length_c 10.68751
_cell_angle_alpha 126.10473
_cell_angle_beta 83.28575
_cell_angle_gamma 79.29039
_cell_volume 136.65505
_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
Li1 Li 0.02775 0.19439 0.75011 1.00000
Li2 Li 0.97225 0.80561 0.24989 1.00000
Cu1 Cu 0.83797 0.82711 0.49695 1.00000
Cu2 Cu 0.35368 0.53888 0.75377 1.00000
Cu3 Cu 0.64632 0.46112 0.24623 1.00000
Cu4 Cu 0.16203 0.17289 0.50305 1.00000
Cu5 Cu 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.33204 0.33719 0.99874 1.00000
Ni3 Ni 0.30439 0.13899 0.25223 1.00000
Ni4 Ni 0.69561 0.86101 0.74777 1.00000
Ni5 Ni 0.66796 0.66281 0.00126 1.00000
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