Sr3Cu5Cl
Alexandria ALEXAlex-ID: agm072370185 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1360_spg8
SrCu Cu SrCl2
2024-09-24 01:34:08.805786
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072370185).
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
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# CIF generated by HEAS from Alexandria entry agm072370185
data_agm072370185
_cell_length_a 5.90209
_cell_length_b 5.90209
_cell_length_c 9.80869
_cell_angle_alpha 76.33484
_cell_angle_beta 76.33484
_cell_angle_gamma 42.49200
_cell_volume 223.26473
_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
Sr1 Sr 0.07772 0.07772 0.68854 1.00000
Sr2 Sr 0.89692 0.89692 0.35364 1.00000
Sr3 Sr 0.69579 0.69579 0.05912 1.00000
Cu1 Cu 0.31057 0.31057 0.82599 1.00000
Cu2 Cu 0.59676 0.59676 0.41099 1.00000
Cu3 Cu 0.39237 0.39237 0.58009 1.00000
Cu4 Cu 0.79633 0.79633 0.70413 1.00000
Cu5 Cu 0.18797 0.18797 0.33365 1.00000
Cl1 Cl 0.98703 0.98703 0.04387 1.00000
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