Li3Sm2BeCu12
Alexandria ALEXAlex-ID: agm004500752 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_96_spg166
LiSmCu4 SmCu5 Li6Cu7 Be2Cu
2022-06-20 05:54:21.642717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004500752).
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 agm004500752
data_agm004500752
_cell_length_a 9.45305
_cell_length_b 9.45305
_cell_length_c 9.45305
_cell_angle_alpha 37.42083
_cell_angle_beta 37.42083
_cell_angle_gamma 37.42083
_cell_volume 279.69812
_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 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.00000 0.00000 0.50000 1.00000
Sm1 Sm 0.64939 0.64939 0.64939 1.00000
Sm2 Sm 0.35061 0.35061 0.35061 1.00000
Be1 Be 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.41803 0.41803 0.81414 1.00000
Cu2 Cu 0.92665 0.92665 0.34588 1.00000
Cu3 Cu 0.34588 0.92665 0.92665 1.00000
Cu4 Cu 0.81414 0.41803 0.41803 1.00000
Cu5 Cu 0.92665 0.34588 0.92665 1.00000
Cu6 Cu 0.41803 0.81414 0.41803 1.00000
Cu7 Cu 0.58197 0.58197 0.18586 1.00000
Cu8 Cu 0.07335 0.07335 0.65412 1.00000
Cu9 Cu 0.65412 0.07335 0.07335 1.00000
Cu10 Cu 0.18586 0.58197 0.58197 1.00000
Cu11 Cu 0.07335 0.65412 0.07335 1.00000
Cu12 Cu 0.58197 0.18586 0.58197 1.00000
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