Sm3Y5Ir
Alexandria ALEXAlex-ID: agm072735985 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1364_spg8
Sm2Y Y3Ir SmY2
2024-09-24 23:49:36.850794
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072735985).
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 agm072735985
data_agm072735985
_cell_length_a 6.25341
_cell_length_b 6.90555
_cell_length_c 7.26998
_cell_angle_alpha 73.87619
_cell_angle_beta 74.19502
_cell_angle_gamma 79.61251
_cell_volume 288.32374
_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 0.56493 0.63581 0.26322 1.00000
Sm2 Sm 0.52704 0.62654 0.76577 1.00000
Sm3 Sm 0.59004 0.10689 0.37244 1.00000
Y1 Y 0.60896 0.08254 0.87005 1.00000
Y2 Y 0.12853 0.37226 0.16788 1.00000
Y3 Y 0.08749 0.91316 0.54318 1.00000
Y4 Y 0.11885 0.38010 0.66572 1.00000
Y5 Y 0.08576 0.90808 0.05389 1.00000
Ir1 Ir 0.90063 0.67101 0.90224 1.00000
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