La5SmY5
Alexandria ALEXAlex-ID: agm006058024 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_44_spg187
La5Sm LaSm LaY2
2023-08-07 14:29:38.733892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006058024).
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 agm006058024
data_agm006058024
_cell_length_a 6.23879
_cell_length_b 6.23879
_cell_length_c 11.93044
_cell_angle_alpha 90.00024
_cell_angle_beta 90.00006
_cell_angle_gamma 120.00001
_cell_volume 402.14947
_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 0.66667 0.33333 0.14777 1.00000
La2 La 0.66667 0.33333 0.85223 1.00000
La3 La 0.33333 0.66667 0.31497 1.00000
La4 La 0.33333 0.66667 0.68503 1.00000
La5 La 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.33333 0.66667 0.00000 1.00000
Y1 Y 0.33184 0.16592 0.50000 1.00000
Y2 Y 1.00000 1.00000 0.26141 1.00000
Y3 Y 0.83408 0.66816 0.50000 1.00000
Y4 Y 0.83408 0.16592 0.50000 1.00000
Y5 Y 0.00000 0.00000 0.73859 1.00000
Get direct link