K15Au
Alexandria ALEXAlex-ID: agm023623950 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB15_11_spg87
K5Au3 K
2025-02-27 10:23:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023623950).
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 agm023623950
data_agm023623950
_cell_length_a 10.48667
_cell_length_b 10.49994
_cell_length_c 12.28833
_cell_angle_alpha 115.24970
_cell_angle_beta 115.21009
_cell_angle_gamma 90.00081
_cell_volume 1079.58109
_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 0.63463 0.23295 0.66772 1.00000
K2 K 0.03303 0.43501 0.66789 1.00000
K3 K 0.43498 0.63454 0.66784 1.00000
K4 K 0.23291 0.03311 0.66778 1.00000
K5 K 0.36537 0.76705 0.33228 1.00000
K6 K 0.96697 0.56499 0.33211 1.00000
K7 K 0.56502 0.36546 0.33216 1.00000
K8 K 0.76709 0.96689 0.33222 1.00000
K9 K 0.50000 0.50000 0.00000 1.00000
K10 K 0.70105 0.10048 0.99992 1.00000
K11 K 0.29895 0.89952 0.00008 1.00000
K12 K 0.89967 0.70111 1.00000 1.00000
K13 K 0.10033 0.29889 0.00000 1.00000
K14 K 0.16807 0.16810 0.33641 1.00000
K15 K 0.83193 0.83190 0.66359 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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