LaSm5Y3
Alexandria ALEXAlex-ID: agm003563293 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_226_spg12
Sm2Y Sm LaY2
2022-03-25 09:24:55.963186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003563293).
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 agm003563293
data_agm003563293
_cell_length_a 9.45888
_cell_length_b 9.45888
_cell_length_c 12.95952
_cell_angle_alpha 51.66904
_cell_angle_beta 51.66904
_cell_angle_gamma 51.14770
_cell_volume 655.67064
_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 0.89483 0.89483 0.86696 1.00000
La2 La 0.10517 0.10517 0.13304 1.00000
Sm1 Sm 0.91789 0.51057 0.22251 1.00000
Sm2 Sm 0.31869 0.68131 0.00000 1.00000
Sm3 Sm 0.62914 0.62914 0.06805 1.00000
Sm4 Sm 0.44253 0.44253 0.42851 1.00000
Sm5 Sm 0.55747 0.55747 0.57149 1.00000
Sm6 Sm 0.37086 0.37086 0.93195 1.00000
Sm7 Sm 0.51057 0.91789 0.22251 1.00000
Sm8 Sm 0.68131 0.31869 0.00000 1.00000
Sm9 Sm 0.08211 0.48943 0.77749 1.00000
Sm10 Sm 0.48943 0.08211 0.77749 1.00000
Y1 Y 0.69894 0.69894 0.68538 1.00000
Y2 Y 0.83173 0.83173 0.34285 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Y4 Y 0.00000 0.00000 0.50000 1.00000
Y5 Y 0.30106 0.30106 0.31462 1.00000
Y6 Y 0.16827 0.16827 0.65715 1.00000
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