Pu3(AgHg2)2
Alexandria ALEXAlex-ID: agm005608913 · 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_139_spg2
Pu2AgHg3 PuAgHg
2023-06-26 16:00:50.405645
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608913).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005608913
data_agm005608913
_cell_length_a 5.08898
_cell_length_b 5.96266
_cell_length_c 9.36072
_cell_angle_alpha 122.22760
_cell_angle_beta 90.00000
_cell_angle_gamma 115.26065
_cell_volume 207.46673
_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
Pu1 Pu 0.66563 0.33125 0.66730 1.00000
Pu2 Pu 0.00000 0.00000 0.00000 1.00000
Pu3 Pu 0.33437 0.66875 0.33270 1.00000
Ag1 Ag 0.61156 0.22312 0.27932 1.00000
Ag2 Ag 0.38844 0.77688 0.72068 1.00000
Hg1 Hg 0.71458 0.42917 0.05436 1.00000
Hg2 Hg 0.28542 0.57083 0.94564 1.00000
Hg3 Hg 0.93708 0.87416 0.60862 1.00000
Hg4 Hg 0.06292 0.12584 0.39138 1.00000
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