Ga2Hg4Pb3
Alexandria ALEXAlex-ID: agm005663667 · 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
A2B3C4_313_spg12
Ga Hg Pb
2023-06-30 20:40:54.072927
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663667).
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 agm005663667
data_agm005663667
_cell_length_a 3.57053
_cell_length_b 7.33540
_cell_length_c 9.39286
_cell_angle_alpha 88.63564
_cell_angle_beta 91.06079
_cell_angle_gamma 76.02617
_cell_volume 238.58822
_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 0.71539 0.57022 0.40037 1.00000
Ga2 Ga 0.28461 0.42978 0.59963 1.00000
Hg1 Hg 0.68821 0.62798 0.09849 1.00000
Hg2 Hg 0.31179 0.37202 0.90151 1.00000
Hg3 Hg 0.94192 0.11348 0.63483 1.00000
Hg4 Hg 0.05808 0.88652 0.36517 1.00000
Pb1 Pb 0.62534 0.74775 0.74041 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
Pb3 Pb 0.37466 0.25225 0.25959 1.00000
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