Hg(PbO3)2
Alexandria ALEXAlex-ID: agm097280010 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1372_spg121
PbO2 HgO5 HgO
2025-04-08 14:20:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097280010).
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 agm097280010
data_agm097280010
_cell_length_a 3.90926
_cell_length_b 4.27321
_cell_length_c 10.02974
_cell_angle_alpha 87.64439
_cell_angle_beta 81.42158
_cell_angle_gamma 91.35772
_cell_volume 165.45761
_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
Hg1 Hg 0.57825 0.11089 0.14726 1.00000
Pb1 Pb 0.19242 0.56085 0.91175 1.00000
Pb2 Pb 0.84134 0.08038 0.66583 1.00000
O1 O 0.64586 0.66266 0.00672 1.00000
O2 O 0.46544 0.44818 0.42726 1.00000
O3 O 0.09276 0.24706 0.11826 1.00000
O4 O 0.91513 0.57191 0.73718 1.00000
O5 O 0.47051 0.74083 0.42410 1.00000
O6 O 0.29829 0.07724 0.81165 1.00000
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