Co3Cl2
Alexandria ALEXAlex-ID: agm005507942 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_527_spg43
CoCl2 Co
2023-03-19 17:30:16.085721
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507942).
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 agm005507942
data_agm005507942
_cell_length_a 7.28968
_cell_length_b 6.70695
_cell_length_c 5.17213
_cell_angle_alpha 74.45365
_cell_angle_beta 62.42420
_cell_angle_gamma 43.12215
_cell_volume 152.19493
_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
Co1 Co 0.35049 0.49023 0.88547 1.00000
Co2 Co 0.27381 0.88547 0.49023 1.00000
Co3 Co 0.75977 0.89951 0.97619 1.00000
Co4 Co 0.36453 0.97619 0.89951 1.00000
Co5 Co 0.98653 0.01347 0.01347 1.00000
Co6 Co 0.23653 0.26347 0.26347 1.00000
Cl1 Cl 0.54368 0.53278 0.07806 1.00000
Cl2 Cl 0.84548 0.07806 0.53278 1.00000
Cl3 Cl 0.71722 0.70632 0.40452 1.00000
Cl4 Cl 0.17194 0.40452 0.70632 1.00000
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