YErS
Alexandria ALEXAlex-ID: agm005657934 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_138_spg62
Y4ErS5 Y6S5 Er
2023-06-18 12:38:01.670007
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657934).
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 agm005657934
data_agm005657934
_cell_length_a 3.78047
_cell_length_b 6.59185
_cell_length_c 12.33797
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 307.46570
_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
Y1 Y 0.75000 0.07872 0.74829 1.00000
Y2 Y 0.75000 0.42128 0.24829 1.00000
Y3 Y 0.25000 0.92128 0.25171 1.00000
Y4 Y 0.25000 0.57872 0.75171 1.00000
Er1 Er 0.25000 0.24146 0.49514 1.00000
Er2 Er 0.25000 0.25854 0.99514 1.00000
Er3 Er 0.75000 0.75854 0.50486 1.00000
Er4 Er 0.75000 0.74146 0.00486 1.00000
S1 S 0.75000 0.08718 0.12061 1.00000
S2 S 0.75000 0.41282 0.62061 1.00000
S3 S 0.25000 0.91282 0.87939 1.00000
S4 S 0.25000 0.58718 0.37939 1.00000
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