SmY3(ErS3)2
Alexandria ALEXAlex-ID: agm004600580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
SmY4S5 Y4ErS5 SmEr4S5
2022-06-30 05:13:34.217173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004600580).
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 agm004600580
data_agm004600580
_cell_length_a 6.79060
_cell_length_b 6.79060
_cell_length_c 6.77784
_cell_angle_alpha 99.57642
_cell_angle_beta 99.57642
_cell_angle_gamma 120.19788
_cell_volume 254.64147
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.16236 0.83764 0.50000 1.00000
Y2 Y 0.83764 0.16236 0.50000 1.00000
Y3 Y 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.33407 0.66593 0.00000 1.00000
Er2 Er 0.66593 0.33407 0.00000 1.00000
S1 S 0.91675 0.57478 0.74976 1.00000
S2 S 0.74082 0.74082 0.24735 1.00000
S3 S 0.08325 0.42522 0.25024 1.00000
S4 S 0.57478 0.91675 0.74976 1.00000
S5 S 0.25918 0.25918 0.75265 1.00000
S6 S 0.42522 0.08325 0.25024 1.00000
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