KSr
Alexandria ALEXAlex-ID: agm005471335 · 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
AB_1540_spg8
Sr K
2023-03-21 08:46:26.042578
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005471335).
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 agm005471335
data_agm005471335
_cell_length_a 8.75847
_cell_length_b 8.75847
_cell_length_c 10.48764
_cell_angle_alpha 76.11822
_cell_angle_beta 76.11822
_cell_angle_gamma 28.83844
_cell_volume 375.95586
_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 0.00371 0.00371 0.99554 1.00000
K2 K 0.66643 0.66643 0.66352 1.00000
K3 K 0.61021 0.61021 0.28324 1.00000
Sr1 Sr 0.33715 0.33715 0.33137 1.00000
Sr2 Sr 0.93069 0.93069 0.61473 1.00000
Sr3 Sr 0.28515 0.28515 0.94494 1.00000
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