Sr5Pb5Au2
Alexandria ALEXAlex-ID: agm005652369 · 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
A2B5C5_18_spg12
SrPbAu SrPb
2023-06-19 08:32:32.697961
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652369).
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 agm005652369
data_agm005652369
_cell_length_a 5.06294
_cell_length_b 9.06133
_cell_length_c 9.29815
_cell_angle_alpha 74.86310
_cell_angle_beta 74.20153
_cell_angle_gamma 73.77738
_cell_volume 386.12650
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.36917 0.32929 0.93238 1.00000
Sr3 Sr 0.32928 0.00793 0.33351 1.00000
Sr4 Sr 0.67072 0.99207 0.66649 1.00000
Sr5 Sr 0.63083 0.67071 0.06762 1.00000
Pb1 Pb 0.95904 0.74678 0.33514 1.00000
Pb2 Pb 0.24809 0.74249 0.76133 1.00000
Pb3 Pb 0.75191 0.25751 0.23867 1.00000
Pb4 Pb 0.04096 0.25322 0.66486 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.84663 0.57015 0.73658 1.00000
Au2 Au 0.15337 0.42985 0.26342 1.00000
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