Li(Zn3Cu)3
Alexandria ALEXAlex-ID: agm006017299 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_17_spg12
Zn35Cu17 LiZn3 Zn8Cu5
2023-08-09 19:47:51.003633
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006017299).
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 agm006017299
data_agm006017299
_cell_length_a 4.95201
_cell_length_b 6.72055
_cell_length_c 6.67889
_cell_angle_alpha 81.93217
_cell_angle_beta 68.23992
_cell_angle_gamma 67.75461
_cell_volume 191.07172
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.70944 0.78844 0.78443 1.00000
Zn2 Zn 0.29056 0.21156 0.21557 1.00000
Zn3 Zn 0.50613 0.21156 0.78443 1.00000
Zn4 Zn 0.49387 0.78844 0.21557 1.00000
Zn5 Zn 0.64891 0.33898 0.34844 1.00000
Zn6 Zn 0.35109 0.66102 0.65156 1.00000
Zn7 Zn 0.00265 0.66102 0.34844 1.00000
Zn8 Zn 0.99735 0.33898 0.65156 1.00000
Zn9 Zn 0.00000 0.50000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.00000 0.00000 0.50000 1.00000
Cu3 Cu 0.50000 0.00000 0.50000 1.00000
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