Dy5Si5Ge2
Alexandria ALEXAlex-ID: agm005659741 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_19_spg12
Dy10Si17 DySi DyGe
2023-06-19 06:56:51.604613
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659741).
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 agm005659741
data_agm005659741
_cell_length_a 4.05988
_cell_length_b 7.49589
_cell_length_c 8.88276
_cell_angle_alpha 85.76986
_cell_angle_beta 76.78972
_cell_angle_gamma 74.28771
_cell_volume 253.31661
_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 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.38938 0.29246 0.92877 1.00000
Dy3 Dy 0.29379 0.07234 0.34008 1.00000
Dy4 Dy 0.70621 0.92766 0.65992 1.00000
Dy5 Dy 0.61062 0.70754 0.07123 1.00000
Si1 Si 0.93692 0.78395 0.34221 1.00000
Si2 Si 0.23401 0.71127 0.82071 1.00000
Si3 Si 0.76599 0.28873 0.17929 1.00000
Si4 Si 0.06308 0.21605 0.65779 1.00000
Si5 Si 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.85710 0.52735 0.75844 1.00000
Ge2 Ge 0.14290 0.47265 0.24156 1.00000
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