Pd2I6Cl
Alexandria ALEXAlex-ID: agm005690397 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2154_spg2
PdI2 I PdCl2
2023-07-06 22:04:23.090904
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690397).
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 agm005690397
data_agm005690397
_cell_length_a 4.48914
_cell_length_b 9.17237
_cell_length_c 8.88913
_cell_angle_alpha 94.00256
_cell_angle_beta 90.10115
_cell_angle_gamma 81.23381
_cell_volume 360.84645
_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
Pd1 Pd 0.68498 0.32024 0.88285 1.00000
Pd2 Pd 0.31502 0.67976 0.11715 1.00000
I1 I 0.18331 0.14009 0.93569 1.00000
I2 I 0.69443 0.43231 0.16684 1.00000
I3 I 0.30557 0.56769 0.83316 1.00000
I4 I 0.69700 0.26276 0.58924 1.00000
I5 I 0.30300 0.73724 0.41076 1.00000
I6 I 0.81669 0.85991 0.06431 1.00000
Cl1 Cl 0.00000 0.00000 0.50000 1.00000
获取直接链接