Sm3(YS2)2
Alexandria ALEXAlex-ID: agm005692898 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Sm4YS5 Y4S3 SmY8
2023-06-29 02:07:12.127070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692898).
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 agm005692898
data_agm005692898
_cell_length_a 3.91727
_cell_length_b 3.91727
_cell_length_c 16.23936
_cell_angle_alpha 90.02409
_cell_angle_beta 89.97590
_cell_angle_gamma 120.00315
_cell_volume 215.80102
_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 0.66608 0.33392 0.40749 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.33392 0.66608 0.59251 1.00000
Y1 Y 0.66711 0.33289 0.79592 1.00000
Y2 Y 0.33289 0.66711 0.20408 1.00000
S1 S 0.33357 0.66643 0.89451 1.00000
S2 S 0.99944 0.00056 0.30127 1.00000
S3 S 0.00056 0.99944 0.69873 1.00000
S4 S 0.66643 0.33357 0.10549 1.00000
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