PmSi2Pb2Au7
Alexandria ALEXAlex-ID: agm004591925 · 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
AB2C2D7_14_spg139
PbAu2 Pm(SiAu2)2 PbAu
2022-06-26 05:09:19.747654
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004591925).
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 agm004591925
data_agm004591925
_cell_length_a 4.82570
_cell_length_b 4.82570
_cell_length_c 11.81432
_cell_angle_alpha 82.89088
_cell_angle_beta 82.89088
_cell_angle_gamma 91.40017
_cell_volume 270.68991
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.68706 0.68706 0.78545 1.00000
Si2 Si 0.31294 0.31294 0.21455 1.00000
Pb1 Pb 0.87953 0.87953 0.38174 1.00000
Pb2 Pb 0.12047 0.12047 0.61826 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.41763 0.41763 0.40126 1.00000
Au3 Au 0.58237 0.58237 0.59874 1.00000
Au4 Au 0.85483 0.44140 0.17797 1.00000
Au5 Au 0.44140 0.85483 0.17797 1.00000
Au6 Au 0.55860 0.14517 0.82203 1.00000
Au7 Au 0.14517 0.55860 0.82203 1.00000
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