Sm2SiIr2
Alexandria ALEXAlex-ID: agm002242540 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_18_spg15
Sm3Si2Ir3 SmSiIr2 Sm5Ir3
2018-07-14 01:49:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002242540).
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 agm002242540
data_agm002242540
_cell_length_a 5.67266
_cell_length_b 5.67267
_cell_length_c 7.62323
_cell_angle_alpha 79.47577
_cell_angle_beta 79.47566
_cell_angle_gamma 59.81182
_cell_volume 207.27913
_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
Si1 Si 0.61129 0.38871 0.75000 1.00000
Si2 Si 0.38871 0.61129 0.25000 1.00000
Ir1 Ir 0.76146 0.49663 0.99624 1.00000
Ir2 Ir 0.50337 0.23854 0.50376 1.00000
Ir3 Ir 0.23854 0.50337 0.00376 1.00000
Ir4 Ir 0.49663 0.76146 0.49624 1.00000
Sm1 Sm 0.71643 0.98497 0.14872 1.00000
Sm2 Sm 0.01503 0.28357 0.35128 1.00000
Sm3 Sm 0.28357 0.01503 0.85128 1.00000
Sm4 Sm 0.98497 0.71643 0.64872 1.00000
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