K8Hg2Pb
Alexandria ALEXAlex-ID: agm003533859 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_259_spg8
K3Hg K KPb
2022-03-15 10:39:23.183068
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003533859).
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 agm003533859
data_agm003533859
_cell_length_a 6.27810
_cell_length_b 8.47921
_cell_length_c 11.31025
_cell_angle_alpha 109.01667
_cell_angle_beta 106.11345
_cell_angle_gamma 90.00000
_cell_volume 544.14315
_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 0.40464 0.55281 0.80927 1.00000
K2 K 0.66381 0.96245 0.32762 1.00000
K3 K 0.80382 0.70452 0.60765 1.00000
K4 K 0.97346 0.20129 0.94693 1.00000
K5 K 0.19618 0.29548 0.39235 1.00000
K6 K 0.33619 0.03755 0.67238 1.00000
K7 K 0.59536 0.44719 0.19073 1.00000
K8 K 0.02654 0.79871 0.05307 1.00000
Hg1 Hg 0.82222 0.29477 0.64444 1.00000
Hg2 Hg 0.17778 0.70523 0.35556 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
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