K3C2
Alexandria ALEXAlex-ID: agm005505447 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_512_spg43
KC8 K
2023-03-19 17:07:07.053984
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505447).
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 agm005505447
data_agm005505447
_cell_length_a 9.05720
_cell_length_b 7.88750
_cell_length_c 7.76073
_cell_angle_alpha 70.72710
_cell_angle_beta 55.29047
_cell_angle_gamma 53.98243
_cell_volume 368.62387
_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 0.39059 0.28715 0.69401 1.00000
K2 K 0.62824 0.69401 0.28715 1.00000
K3 K 0.96285 0.85941 0.62176 1.00000
K4 K 0.55599 0.62176 0.85941 1.00000
K5 K 0.83514 0.16486 0.16486 1.00000
K6 K 0.08514 0.41486 0.41486 1.00000
C1 C 0.37916 0.54335 0.31062 1.00000
C2 C 0.76688 0.31062 0.54335 1.00000
C3 C 0.70665 0.87084 0.48312 1.00000
C4 C 0.93938 0.48312 0.87084 1.00000
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