YS11
Alexandria ALEXAlex-ID: agm066615971 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB11_162_spg1
YS13 YS8
2025-01-02 01:58:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066615971).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm066615971
data_agm066615971
_cell_length_a 4.03031
_cell_length_b 8.40276
_cell_length_c 11.08060
_cell_angle_alpha 93.35141
_cell_angle_beta 94.52161
_cell_angle_gamma 87.60002
_cell_volume 373.18324
_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 0.05758 0.97157 0.05164 1.00000
S1 S 0.60178 0.82257 0.16878 1.00000
S2 S 0.66867 0.55056 0.59299 1.00000
S3 S 0.87636 0.50629 0.97433 1.00000
S4 S 0.13521 0.39388 0.37616 1.00000
S5 S 0.39865 0.24213 0.85165 1.00000
S6 S 0.67647 0.33300 0.53837 1.00000
S7 S 0.51430 0.00539 0.87063 1.00000
S8 S 0.21570 0.31839 0.02234 1.00000
S9 S 0.13777 0.67698 0.91217 1.00000
S10 S 0.58907 0.06821 0.20940 1.00000
S11 S 0.12843 0.61101 0.43154 1.00000
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