Sm3InOs
Alexandria ALEXAlex-ID: agm005802946 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6933_spg2
Sm4InOs SmIn SmOs2
2023-07-07 18:08:34.937246
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802946).
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 agm005802946
data_agm005802946
_cell_length_a 5.96212
_cell_length_b 5.96211
_cell_length_c 8.85464
_cell_angle_alpha 102.27102
_cell_angle_beta 102.26603
_cell_angle_gamma 111.64340
_cell_volume 270.82601
_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 0.29904 0.79905 0.09809 1.00000
Sm2 Sm 0.70096 0.20095 0.90191 1.00000
Sm3 Sm 0.08339 0.19627 0.27967 1.00000
Sm4 Sm 0.91661 0.80373 0.72033 1.00000
Sm5 Sm 0.69624 0.58342 0.27966 1.00000
Sm6 Sm 0.30376 0.41658 0.72034 1.00000
In1 In 0.70687 0.20687 0.50000 1.00000
In2 In 0.29313 0.79313 0.50000 1.00000
Os1 Os 0.25000 0.25000 0.00000 1.00000
Os2 Os 0.75000 0.75000 1.00000 1.00000
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