La3SmY6
Alexandria ALEXAlex-ID: agm005965232 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_299_spg146
Sm LaY2
2023-09-23 12:05:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005965232).
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 agm005965232
data_agm005965232
_cell_length_a 10.03694
_cell_length_b 10.03694
_cell_length_c 6.98039
_cell_angle_alpha 44.03311
_cell_angle_beta 44.03311
_cell_angle_gamma 59.99999
_cell_volume 339.53097
_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 0.35047 0.35047 0.94858 1.00000
La2 La 0.59965 0.59965 0.20105 1.00000
La3 La 0.10221 0.10221 0.69336 1.00000
Sm1 Sm 0.84967 0.84967 0.45099 1.00000
Y1 Y 0.92333 0.60295 0.19958 1.00000
Y2 Y 0.27414 0.92333 0.19958 1.00000
Y3 Y 0.60295 0.27414 0.19958 1.00000
Y4 Y 0.09735 0.42467 0.70242 1.00000
Y5 Y 0.77556 0.09735 0.70242 1.00000
Y6 Y 0.42467 0.77556 0.70242 1.00000
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