Ce7CoCl12
Alexandria ALEXAlex-ID: agm005808784 · 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
Ce2Cl5 Ce CeCo
2023-07-15 18:10:21.708204
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808784).
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 agm005808784
data_agm005808784
_cell_length_a 9.11592
_cell_length_b 9.11592
_cell_length_c 9.11593
_cell_angle_alpha 107.93447
_cell_angle_beta 107.93442
_cell_angle_gamma 107.93441
_cell_volume 614.08990
_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
Ce1 Ce 0.96560 0.67271 0.87374 1.00000
Ce2 Ce 0.32728 0.12626 0.03440 1.00000
Ce3 Ce 0.12626 0.03440 0.32729 1.00000
Ce4 Ce 0.50000 0.50000 0.50000 1.00000
Ce5 Ce 0.87374 0.96560 0.67271 1.00000
Ce6 Ce 0.67271 0.87374 0.96560 1.00000
Ce7 Ce 0.03440 0.32729 0.12626 1.00000
Co1 Co 0.00002 0.00001 0.00000 1.00000
Cl1 Cl 0.92278 0.31348 0.78972 1.00000
Cl2 Cl 0.68652 0.21028 0.07722 1.00000
Cl3 Cl 0.47755 0.16181 0.38193 1.00000
Cl4 Cl 0.83819 0.61807 0.52245 1.00000
Cl5 Cl 0.21028 0.07722 0.68652 1.00000
Cl6 Cl 0.61807 0.52245 0.83819 1.00000
Cl7 Cl 0.38193 0.47755 0.16181 1.00000
Cl8 Cl 0.78972 0.92278 0.31348 1.00000
Cl9 Cl 0.16181 0.38193 0.47755 1.00000
Cl10 Cl 0.52245 0.83819 0.61807 1.00000
Cl11 Cl 0.31348 0.78972 0.92278 1.00000
Cl12 Cl 0.07722 0.68652 0.21028 1.00000
