Dy4YS4
Alexandria ALEXAlex-ID: agm006033166 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_11_spg87
Dy4YS5 Dy2Y2S3 Dy
2023-08-11 11:54:02.348924
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006033166).
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
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# CIF generated by HEAS from Alexandria entry agm006033166
data_agm006033166
_cell_length_a 5.49530
_cell_length_b 6.72063
_cell_length_c 6.71928
_cell_angle_alpha 80.28090
_cell_angle_beta 65.79208
_cell_angle_gamma 65.69030
_cell_volume 206.26536
_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
Dy1 Dy 0.60351 0.59466 0.19855 1.00000
Dy2 Dy 0.39649 0.40534 0.80145 1.00000
Dy3 Dy 0.19798 0.19863 0.40554 1.00000
Dy4 Dy 0.80202 0.80137 0.59446 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
S1 S 0.90114 0.40049 0.79704 1.00000
S2 S 0.09886 0.59951 0.20296 1.00000
S3 S 0.30185 0.79691 0.59975 1.00000
S4 S 0.69815 0.20309 0.40025 1.00000
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