Sm2Y2S5
Alexandria ALEXAlex-ID: agm009569296 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_238_spg12
Sm5S6 Sm2(YS2)3 Sm4(YS2)11
2024-04-24 10:39:46.241045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009569296).
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 agm009569296
data_agm009569296
_cell_length_a 10.71970
_cell_length_b 10.71970
_cell_length_c 10.71970
_cell_angle_alpha 158.74859
_cell_angle_beta 149.95689
_cell_angle_gamma 37.09392
_cell_volume 223.25082
_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 0.90525 0.90525 0.00000 1.00000
Sm2 Sm 0.09475 0.09475 0.00000 1.00000
Y1 Y 0.70200 0.70200 0.00000 1.00000
Y2 Y 0.29800 0.29800 0.00000 1.00000
S1 S 0.80052 0.30052 0.50000 1.00000
S2 S 0.61057 0.11057 0.50000 1.00000
S3 S 0.38943 0.88943 0.50000 1.00000
S4 S 0.19948 0.69948 0.50000 1.00000
S5 S 0.00000 0.50000 0.50000 1.00000
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