YS9
Alexandria ALEXAlex-ID: agm083213068 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_230_spg1
YS13 YS8
2025-03-08 20:53:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083213068).
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 agm083213068
data_agm083213068
_cell_length_a 8.15097
_cell_length_b 8.14431
_cell_length_c 8.14026
_cell_angle_alpha 95.57803
_cell_angle_beta 93.28321
_cell_angle_gamma 93.46801
_cell_volume 535.75403
_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 0.04970 0.98379 0.96976 1.00000
Y2 Y 0.45291 0.52647 0.52185 1.00000
S1 S 0.75121 0.24337 0.25549 1.00000
S2 S 0.25366 0.77239 0.72720 1.00000
S3 S 0.22198 0.26600 0.79309 1.00000
S4 S 0.77364 0.73101 0.26385 1.00000
S5 S 0.27706 0.72583 0.23216 1.00000
S6 S 0.72426 0.23170 0.76384 1.00000
S7 S 0.32003 0.21628 0.57107 1.00000
S8 S 0.64707 0.81347 0.45526 1.00000
S9 S 0.16507 0.53071 0.32534 1.00000
S10 S 0.76479 0.42191 0.63071 1.00000
S11 S 0.55983 0.37630 0.20511 1.00000
S12 S 0.46083 0.67813 0.82668 1.00000
S13 S 0.04321 0.67738 0.82000 1.00000
S14 S 0.93692 0.29714 0.11543 1.00000
S15 S 0.73860 0.86623 0.07449 1.00000
S16 S 0.34660 0.16699 0.97690 1.00000
S17 S 0.84910 0.03910 0.68300 1.00000
S18 S 0.16353 0.93579 0.28877 1.00000
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