K
Alexandria ALEXAlex-ID: agm011908328 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A_1096_spg10
K
2025-01-14 18:44:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011908328).
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 agm011908328
data_agm011908328
_cell_length_a 11.22930
_cell_length_b 7.32946
_cell_length_c 12.58659
_cell_angle_alpha 90.00000
_cell_angle_beta 110.41272
_cell_angle_gamma 90.00000
_cell_volume 970.88286
_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 0.20229 0.50000 0.57739 1.00000
K2 K 0.79771 0.50000 0.42261 1.00000
K3 K 0.90633 0.00000 0.63972 1.00000
K4 K 0.09367 0.00000 0.36028 1.00000
K5 K 0.36687 0.00000 0.75853 1.00000
K6 K 0.63313 0.00000 0.24147 1.00000
K7 K 0.93755 0.50000 0.14525 1.00000
K8 K 0.36841 0.50000 0.30376 1.00000
K9 K 0.63159 0.50000 0.69624 1.00000
K10 K 0.06245 0.50000 0.85475 1.00000
K11 K 0.50000 0.50000 0.00000 1.00000
K12 K 0.21579 0.00000 0.05349 1.00000
K13 K 0.78421 0.00000 0.94651 1.00000
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