CsSrCoCl6
Alexandria ALEXAlex-ID: agm005100348 · 空间群: P312 (#149)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_14_spg149
CoCl3 Cs3Co2Cl9 SrCl2
2022-08-12 10:43:11.571793
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100348).
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 agm005100348
data_agm005100348
_cell_length_a 6.93973
_cell_length_b 6.94012
_cell_length_c 7.46837
_cell_angle_alpha 90.00751
_cell_angle_beta 90.00074
_cell_angle_gamma 59.99554
_cell_volume 311.49167
_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
Cs1 Cs 0.99997 0.00001 0.99999 1.00000
Sr1 Sr 0.66664 0.66667 0.49999 1.00000
Co1 Co 0.33330 0.33334 0.50002 1.00000
Cl1 Cl 0.06572 0.33694 0.31910 1.00000
Cl2 Cl 0.33692 0.06574 0.68089 1.00000
Cl3 Cl 0.59728 0.33695 0.68088 1.00000
Cl4 Cl 0.06571 0.59732 0.68086 1.00000
Cl5 Cl 0.33692 0.59733 0.31908 1.00000
Cl6 Cl 0.59730 0.06575 0.31910 1.00000
获取直接链接