K5Ag7
Alexandria ALEXAlex-ID: agm024250310 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B7_685_spg166
K2Ag3 K
2025-05-16 18:11:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024250310).
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 agm024250310
data_agm024250310
_cell_length_a 11.20214
_cell_length_b 11.20214
_cell_length_c 11.20214
_cell_angle_alpha 31.42756
_cell_angle_beta 31.42756
_cell_angle_gamma 31.42756
_cell_volume 339.26989
_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 0.00000 0.00000 0.00000 1.00000
K2 K 0.14158 0.14158 0.14158 1.00000
K3 K 0.85842 0.85842 0.85842 1.00000
K4 K 0.33314 0.33314 0.33314 1.00000
K5 K 0.66686 0.66686 0.66686 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.09322 0.58997 0.58997 1.00000
Ag3 Ag 0.58997 0.58997 0.09322 1.00000
Ag4 Ag 0.58997 0.09322 0.58997 1.00000
Ag5 Ag 0.90678 0.41003 0.41003 1.00000
Ag6 Ag 0.41003 0.90678 0.41003 1.00000
Ag7 Ag 0.41003 0.41003 0.90678 1.00000
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