Dy4Si2Cl3
Alexandria ALEXAlex-ID: agm005692827 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_352_spg164
Dy5Si3 DySi DyCl3
2023-06-28 06:55:39.273697
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692827).
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 agm005692827
data_agm005692827
_cell_length_a 4.07354
_cell_length_b 4.07354
_cell_length_c 16.81174
_cell_angle_alpha 90.02044
_cell_angle_beta 89.97954
_cell_angle_gamma 120.00498
_cell_volume 241.58219
_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 0.33353 0.66647 0.88825 1.00000
Dy2 Dy 0.99957 0.00043 0.29599 1.00000
Dy3 Dy 0.00043 0.99957 0.70401 1.00000
Dy4 Dy 0.66647 0.33353 0.11175 1.00000
Si1 Si 0.66698 0.33302 0.79996 1.00000
Si2 Si 0.33302 0.66698 0.20004 1.00000
Cl1 Cl 0.66614 0.33386 0.38971 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
Cl3 Cl 0.33386 0.66614 0.61029 1.00000
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