La11Sm
Alexandria ALEXAlex-ID: agm017163800 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_69_spg1
La5Sm La
2025-01-30 08:03:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017163800).
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 agm017163800
data_agm017163800
_cell_length_a 7.44853
_cell_length_b 7.44853
_cell_length_c 11.22001
_cell_angle_alpha 59.77087
_cell_angle_beta 120.22913
_cell_angle_gamma 120.19830
_cell_volume 437.98218
_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 0.66706 0.83271 0.66734 1.00000
La2 La 0.33294 0.16729 0.33266 1.00000
La3 La 0.16711 0.83289 0.66652 1.00000
La4 La 0.66678 0.33322 0.66704 1.00000
La5 La 0.16729 0.33294 0.66734 1.00000
La6 La 0.83271 0.66706 0.33266 1.00000
La7 La 0.33322 0.66678 0.33296 1.00000
La8 La 0.83289 0.16711 0.33348 1.00000
La9 La 0.50000 0.50000 0.00000 1.00000
La10 La 0.00000 0.50000 0.00000 1.00000
La11 La 0.50000 0.00000 0.00000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
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