La3Ce2SmY6
Alexandria ALEXAlex-ID: agm004631258 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_178_spg12
LaY2 Sm Ce
2022-06-30 20:42:32.943397
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004631258).
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 agm004631258
data_agm004631258
_cell_length_a 6.27053
_cell_length_b 6.27053
_cell_length_c 11.87580
_cell_angle_alpha 95.04997
_cell_angle_beta 95.04997
_cell_angle_gamma 120.00704
_cell_volume 398.04649
_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 0.16568 0.83432 0.50000 1.00000
La2 La 0.83432 0.16568 0.50000 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
Ce1 Ce 0.33349 0.66651 0.00000 1.00000
Ce2 Ce 0.66651 0.33349 0.00000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.91845 0.58308 0.75536 1.00000
Y2 Y 0.74609 0.74609 0.24462 1.00000
Y3 Y 0.08155 0.41692 0.24464 1.00000
Y4 Y 0.58308 0.91845 0.75536 1.00000
Y5 Y 0.25391 0.25391 0.75538 1.00000
Y6 Y 0.41692 0.08155 0.24464 1.00000
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