Ga2Hg5Pb12
Alexandria ALEXAlex-ID: agm003370654 · 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
A2B5C12_137_spg12
Ga Hg Pb
2022-02-06 20:56:39.726711
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370654).
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 agm003370654
data_agm003370654
_cell_length_a 7.62186
_cell_length_b 10.25964
_cell_length_c 9.37546
_cell_angle_alpha 117.60868
_cell_angle_beta 90.00000
_cell_angle_gamma 111.80497
_cell_volume 589.82649
_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
Ga1 Ga 0.66978 0.00000 1.00000 1.00000
Ga2 Ga 0.33022 1.00000 0.00000 1.00000
Hg1 Hg 0.33327 0.66653 0.73648 1.00000
Hg2 Hg 0.31401 0.62802 0.20445 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Hg4 Hg 0.68599 0.37198 0.79555 1.00000
Hg5 Hg 0.66673 0.33347 0.26352 1.00000
Pb1 Pb 0.03825 0.07650 0.21386 1.00000
Pb2 Pb 0.07437 0.70476 0.01178 1.00000
Pb3 Pb 0.63039 0.70476 0.01178 1.00000
Pb4 Pb 0.05596 0.65205 0.45446 1.00000
Pb5 Pb 0.59609 0.65205 0.45446 1.00000
Pb6 Pb 0.49211 0.98422 0.68204 1.00000
Pb7 Pb 0.50789 0.01578 0.31796 1.00000
Pb8 Pb 0.94404 0.34795 0.54554 1.00000
Pb9 Pb 0.40391 0.34795 0.54554 1.00000
Pb10 Pb 0.92563 0.29524 0.98822 1.00000
Pb11 Pb 0.36961 0.29524 0.98822 1.00000
Pb12 Pb 0.96175 0.92350 0.78614 1.00000
获取直接链接