H4PbAu
Alexandria ALEXAlex-ID: agm007357941 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_0_spg137
PbAu2 H6Pb H6Au
2024-08-14 01:38:38.029954
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357941).
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 agm007357941
data_agm007357941
_cell_length_a 5.76269
_cell_length_b 3.68095
_cell_length_c 7.76057
_cell_angle_alpha 89.99112
_cell_angle_beta 89.36136
_cell_angle_gamma 90.00076
_cell_volume 164.60849
_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
H1 H 0.74853 0.75001 0.25082 1.00000
H2 H 0.56268 0.75001 0.74626 1.00000
H3 H 0.77751 0.25006 0.03385 1.00000
H4 H 0.78368 0.24996 0.46635 1.00000
H5 H 0.25147 0.24999 0.74918 1.00000
H6 H 0.43732 0.24999 0.25374 1.00000
H7 H 0.22249 0.74994 0.96615 1.00000
H8 H 0.21632 0.75004 0.53365 1.00000
Pb1 Pb 0.80643 0.24998 0.75046 1.00000
Pb2 Pb 0.19357 0.75002 0.24954 1.00000
Au1 Au 0.75149 0.25000 0.25070 1.00000
Au2 Au 0.24851 0.75000 0.74930 1.00000
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