Sr5Ag2Bi5
Alexandria ALEXAlex-ID: agm005651782 · 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_19_spg12
Sr2Bi3 Sr11Bi10 SrAgBi
2023-06-19 07:35:53.468252
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651782).
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 agm005651782
data_agm005651782
_cell_length_a 4.83534
_cell_length_b 9.04172
_cell_length_c 10.02984
_cell_angle_alpha 84.38173
_cell_angle_beta 76.05162
_cell_angle_gamma 74.49095
_cell_volume 409.81425
_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 0.39448 0.29996 0.91109 1.00000
Sr3 Sr 0.30804 0.06609 0.31783 1.00000
Sr4 Sr 0.69196 0.93391 0.68217 1.00000
Sr5 Sr 0.60552 0.70004 0.08891 1.00000
Ag1 Ag 0.86132 0.53297 0.74440 1.00000
Ag2 Ag 0.13868 0.46703 0.25560 1.00000
Bi1 Bi 0.93379 0.77269 0.35973 1.00000
Bi2 Bi 0.24425 0.68817 0.82333 1.00000
Bi3 Bi 0.75575 0.31183 0.17667 1.00000
Bi4 Bi 0.06621 0.22731 0.64027 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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