Sm5YIn2
Alexandria ALEXAlex-ID: agm003480353 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_250_spg71
Sm3In Y2In Sm
2022-02-23 06:46:25.253548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003480353).
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 agm003480353
data_agm003480353
_cell_length_a 3.64133
_cell_length_b 8.49708
_cell_length_c 8.49708
_cell_angle_alpha 79.72354
_cell_angle_beta 77.62730
_cell_angle_gamma 77.62730
_cell_volume 248.40487
_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 0.00000 0.50000 0.50000 1.00000
Sm2 Sm 0.63789 0.58286 0.14137 1.00000
Sm3 Sm 0.36211 0.41714 0.85863 1.00000
Sm4 Sm 0.36211 0.85863 0.41714 1.00000
Sm5 Sm 0.63789 0.14137 0.58286 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
In1 In 0.72680 0.77320 0.77320 1.00000
In2 In 0.27320 0.22680 0.22680 1.00000
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