Sm4Y5
Alexandria ALEXAlex-ID: agm003292012 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_52_spg139
Sm2Y SmY2
2022-01-17 02:12:24.470526
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003292012).
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 agm003292012
data_agm003292012
_cell_length_a 5.07703
_cell_length_b 8.04551
_cell_length_c 8.04551
_cell_angle_alpha 84.22854
_cell_angle_beta 71.55181
_cell_angle_gamma 71.55181
_cell_volume 295.72811
_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
Sm1 Sm 0.33325 0.66653 0.66677 1.00000
Sm2 Sm 0.33325 0.00011 0.33320 1.00000
Sm3 Sm 0.66675 0.66680 0.99989 1.00000
Sm4 Sm 0.66675 0.33323 0.33347 1.00000
Y1 Y 1.00000 0.99976 0.00024 1.00000
Y2 Y 0.00000 0.33357 0.66643 1.00000
Y3 Y 0.00000 0.66667 0.33333 1.00000
Y4 Y 0.33315 0.33353 0.00020 1.00000
Y5 Y 0.66685 0.99980 0.66647 1.00000
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