Y(CdCl3)4
Alexandria ALEXAlex-ID: agm099547142 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_1004_spg1
CdCl4 CdCl2 YCl3
2025-04-21 23:43:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099547142).
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 agm099547142
data_agm099547142
_cell_length_a 5.33981
_cell_length_b 10.32652
_cell_length_c 10.82593
_cell_angle_alpha 94.63352
_cell_angle_beta 105.43555
_cell_angle_gamma 76.69676
_cell_volume 559.86506
_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
Y1 Y 0.56162 0.82559 0.24400 1.00000
Cd1 Cd 0.46675 0.13271 0.93832 1.00000
Cd2 Cd 0.31823 0.10119 0.58294 1.00000
Cd3 Cd 0.52261 0.53585 0.88413 1.00000
Cd4 Cd 0.91185 0.44489 0.60902 1.00000
Cl1 Cl 0.36219 0.06713 0.12969 1.00000
Cl2 Cl 0.64121 0.97647 0.77619 1.00000
Cl3 Cl 0.66315 0.56000 0.24358 1.00000
Cl4 Cl 0.43189 0.45951 0.64487 1.00000
Cl5 Cl 0.47240 0.76194 0.99109 1.00000
Cl6 Cl 0.73768 0.67020 0.47369 1.00000
Cl7 Cl 0.69042 0.32650 0.01235 1.00000
Cl8 Cl 0.63377 0.99923 0.44615 1.00000
Cl9 Cl 0.06511 0.83328 0.25574 1.00000
Cl10 Cl 0.97982 0.57031 0.82972 1.00000
Cl11 Cl 0.99088 0.27237 0.43476 1.00000
Cl12 Cl 0.05044 0.21284 0.75373 1.00000
获取直接链接