K2SrCl4
Alexandria ALEXAlex-ID: agm096347993 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_74_spg44
K2SrCl4
2025-04-10 15:59:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096347993).
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}
}
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# CIF generated by HEAS from Alexandria entry agm096347993
data_agm096347993
_cell_length_a 7.81618
_cell_length_b 4.35870
_cell_length_c 8.35305
_cell_angle_alpha 90.00000
_cell_angle_beta 106.61807
_cell_angle_gamma 90.00000
_cell_volume 272.68878
_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
K1 K 0.95627 0.50000 0.95838 1.00000
K2 K 0.10039 0.00000 0.46194 1.00000
Sr1 Sr 0.48576 0.50000 0.03274 1.00000
Cl1 Cl 0.64682 0.00000 0.88670 1.00000
Cl2 Cl 0.82866 0.50000 0.27873 1.00000
Cl3 Cl 0.19522 0.50000 0.73173 1.00000
Cl4 Cl 0.28688 0.00000 0.14979 1.00000
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