La4PdCCl2
Alexandria ALEXAlex-ID: agm004861908 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
La7Pd3 La4C2Cl5 LaPd La2C2Cl
2022-07-13 11:42:26.967662
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004861908).
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 agm004861908
data_agm004861908
_cell_length_a 4.00958
_cell_length_b 7.37807
_cell_length_c 7.32644
_cell_angle_alpha 73.06869
_cell_angle_beta 89.99974
_cell_angle_gamma 89.99970
_cell_volume 207.34320
_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
La1 La 0.00000 0.71951 0.72604 1.00000
La2 La 1.00000 0.28049 0.27396 1.00000
La3 La 0.50000 0.70402 0.28964 1.00000
La4 La 0.50000 0.29598 0.71036 1.00000
Pd1 Pd 0.50000 0.50000 1.00000 1.00000
C1 C 0.00000 0.49999 0.50000 1.00000
Cl1 Cl 0.00000 0.00000 1.00000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
获取直接链接