Sm(DyS3)2
Alexandria ALEXAlex-ID: agm097429146 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_4310_spg2
SmS2 Dy10S19 DyS9
2025-04-07 07:11:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097429146).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097429146
data_agm097429146
_cell_length_a 4.00745
_cell_length_b 5.44721
_cell_length_c 10.75310
_cell_angle_alpha 104.60893
_cell_angle_beta 81.44246
_cell_angle_gamma 89.98410
_cell_volume 224.44050
_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
Sm1 Sm 0.63178 0.35947 0.30166 1.00000
Dy1 Dy 0.83178 0.16630 0.91450 1.00000
Dy2 Dy 0.03507 0.97468 0.53331 1.00000
S1 S 0.61653 0.69697 0.97726 1.00000
S2 S 0.05552 0.45290 0.48948 1.00000
S3 S 0.20564 0.26197 0.10777 1.00000
S4 S 0.05203 0.63417 0.85216 1.00000
S5 S 0.60799 0.88545 0.35395 1.00000
S6 S 0.46366 0.06809 0.71990 1.00000
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