K7Hg2
Alexandria ALEXAlex-ID: agm009205478 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7_180_spg64
K3Hg K
2025-01-18 09:59:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009205478).
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 agm009205478
data_agm009205478
_cell_length_a 9.14936
_cell_length_b 9.10858
_cell_length_c 13.01750
_cell_angle_alpha 90.00000
_cell_angle_beta 110.14154
_cell_angle_gamma 90.00000
_cell_volume 1018.50378
_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 0.73255 0.00272 0.46819 1.00000
K2 K 0.23255 0.49728 0.46819 1.00000
K3 K 0.26745 0.99728 0.53181 1.00000
K4 K 0.76745 0.50272 0.53181 1.00000
K5 K 0.50000 0.00000 0.00000 1.00000
K6 K 0.00000 0.50000 0.00000 1.00000
K7 K 0.92472 0.82266 0.20737 1.00000
K8 K 0.27728 0.17577 0.20711 1.00000
K9 K 0.77728 0.32423 0.20711 1.00000
K10 K 0.42472 0.67734 0.20737 1.00000
K11 K 0.07528 0.17734 0.79263 1.00000
K12 K 0.72272 0.82423 0.79289 1.00000
K13 K 0.22272 0.67577 0.79289 1.00000
K14 K 0.57528 0.32266 0.79263 1.00000
Hg1 Hg 0.61650 0.61583 0.99865 1.00000
Hg2 Hg 0.38350 0.38417 0.00135 1.00000
Hg3 Hg 0.88350 0.11583 0.00135 1.00000
Hg4 Hg 0.11650 0.88417 0.99865 1.00000
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