Li2BeCu3
Alexandria ALEXAlex-ID: agm005696002 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_679_spg63
Li6Cu7 Be2Cu LiCu2
2023-08-22 08:00:26.185403
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696002).
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 agm005696002
data_agm005696002
_cell_length_a 4.62355
_cell_length_b 4.88650
_cell_length_c 6.89130
_cell_angle_alpha 89.94705
_cell_angle_beta 109.60067
_cell_angle_gamma 89.99999
_cell_volume 146.67299
_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 0.30465 0.24782 0.63392 1.00000
Li2 Li 0.32927 0.74782 0.63392 1.00000
Li3 Li 0.67073 0.25218 0.36608 1.00000
Li4 Li 0.69535 0.75218 0.36608 1.00000
Be1 Be 0.19432 0.25000 0.00000 1.00000
Be2 Be 0.80568 0.75000 1.00000 1.00000
Cu1 Cu 0.32453 0.75000 0.00000 1.00000
Cu2 Cu 0.67547 0.25000 1.00000 1.00000
Cu3 Cu 0.86651 0.00011 0.73345 1.00000
Cu4 Cu 0.13306 0.49989 0.26655 1.00000
Cu5 Cu 0.86694 0.50011 0.73345 1.00000
Cu6 Cu 0.13349 0.99989 0.26655 1.00000
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