La(SmCu3)2
Alexandria ALEXAlex-ID: agm016823906 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3794_spg2
LaSmCu4 SmCu2
2025-03-02 09:17:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016823906).
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
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# CIF generated by HEAS from Alexandria entry agm016823906
data_agm016823906
_cell_length_a 5.68797
_cell_length_b 5.68797
_cell_length_c 5.68797
_cell_angle_alpha 81.62521
_cell_angle_beta 81.62521
_cell_angle_gamma 81.62522
_cell_volume 178.65778
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.66592 0.66592 0.66592 1.00000
Sm2 Sm 0.33408 0.33408 0.33408 1.00000
Cu1 Cu 0.50000 0.16782 0.83218 1.00000
Cu2 Cu 0.16782 0.83218 0.50000 1.00000
Cu3 Cu 0.50000 0.83218 0.16782 1.00000
Cu4 Cu 0.16782 0.50000 0.83218 1.00000
Cu5 Cu 0.83218 0.16782 0.50000 1.00000
Cu6 Cu 0.83218 0.50000 0.16782 1.00000
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