Dy7NiCl12
Alexandria ALEXAlex-ID: agm005807028 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_30_spg148
Dy3Ni DyCl3
2023-07-15 16:43:39.583014
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807028).
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 agm005807028
data_agm005807028
_cell_length_a 8.80290
_cell_length_b 8.80290
_cell_length_c 8.80290
_cell_angle_alpha 107.44428
_cell_angle_beta 107.44427
_cell_angle_gamma 107.44428
_cell_volume 561.07099
_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 0.97208 0.68111 0.88699 1.00000
Dy2 Dy 0.31889 0.11301 0.02792 1.00000
Dy3 Dy 0.11301 0.02792 0.31889 1.00000
Dy4 Dy 0.50000 0.50000 0.50000 1.00000
Dy5 Dy 0.88699 0.97208 0.68111 1.00000
Dy6 Dy 0.68111 0.88699 0.97208 1.00000
Dy7 Dy 0.02792 0.31889 0.11301 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.92540 0.31837 0.78491 1.00000
Cl2 Cl 0.68163 0.21509 0.07460 1.00000
Cl3 Cl 0.47140 0.16764 0.38656 1.00000
Cl4 Cl 0.83236 0.61344 0.52860 1.00000
Cl5 Cl 0.21509 0.07460 0.68163 1.00000
Cl6 Cl 0.61344 0.52860 0.83236 1.00000
Cl7 Cl 0.38656 0.47140 0.16764 1.00000
Cl8 Cl 0.78491 0.92540 0.31837 1.00000
Cl9 Cl 0.16764 0.38656 0.47140 1.00000
Cl10 Cl 0.52860 0.83236 0.61344 1.00000
Cl11 Cl 0.31837 0.78491 0.92540 1.00000
Cl12 Cl 0.07460 0.68163 0.21509 1.00000
