Dy2S3
Alexandria ALEXAlex-ID: agm002182292 · 空间群: R-3c (#167)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_28_spg15
Dy2S3
2018-06-10 03:48:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002182292).
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 agm002182292
data_agm002182292
_cell_length_a 6.91257
_cell_length_b 6.91257
_cell_length_c 7.34672
_cell_angle_alpha 61.93353
_cell_angle_beta 61.93353
_cell_angle_gamma 59.99300
_cell_volume 255.22679
_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
S1 S 0.75000 0.05041 0.75000 1.00000
S2 S 0.05048 0.44951 0.75000 1.00000
S3 S 0.44959 0.75000 0.75000 1.00000
S4 S 0.55041 0.25000 0.25000 1.00000
S5 S 0.94952 0.55048 0.25000 1.00000
S6 S 0.25000 0.94959 0.25000 1.00000
Dy1 Dy 0.35064 0.35067 0.94807 1.00000
Dy2 Dy 0.14933 0.14936 0.55193 1.00000
Dy3 Dy 0.85067 0.85064 0.44807 1.00000
Dy4 Dy 0.64936 0.64933 0.05193 1.00000
