Dy4PbCl5
Alexandria ALEXAlex-ID: agm013035781 · 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
AB4C5_162_spg12
Dy5Pb3 Dy DyCl3
2024-06-24 11:45:08.095635
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013035781).
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 agm013035781
data_agm013035781
_cell_length_a 9.59030
_cell_length_b 9.59030
_cell_length_c 8.42212
_cell_angle_alpha 88.64189
_cell_angle_beta 88.64189
_cell_angle_gamma 24.22491
_cell_volume 317.74610
_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 0.34366 0.34366 0.07055 1.00000
Dy2 Dy 0.98823 0.98823 0.25960 1.00000
Dy3 Dy 0.65634 0.65634 0.92945 1.00000
Dy4 Dy 0.01177 0.01177 0.74040 1.00000
Pb1 Pb 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.84344 0.84344 0.29703 1.00000
Cl2 Cl 0.80551 0.80551 0.86125 1.00000
Cl3 Cl 0.19449 0.19449 0.13875 1.00000
Cl4 Cl 0.50000 0.50000 0.50000 1.00000
Cl5 Cl 0.15656 0.15656 0.70297 1.00000
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