Sr3(Bi2Pb)2
Alexandria ALEXAlex-ID: agm005644049 · 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_899_spg2
Sr2Bi3 Sr11Bi10 Pb
2023-06-29 00:37:54.562837
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644049).
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 agm005644049
data_agm005644049
_cell_length_a 5.17751
_cell_length_b 7.71319
_cell_length_c 9.09977
_cell_angle_alpha 109.27769
_cell_angle_beta 106.51909
_cell_angle_gamma 89.97142
_cell_volume 327.11066
_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 0.12724 0.60231 0.25504 1.00000
Sr2 Sr 0.87276 0.39769 0.74496 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.48140 0.68878 0.96269 1.00000
Bi2 Bi 0.22320 0.26818 0.44481 1.00000
Bi3 Bi 0.51860 0.31122 0.03731 1.00000
Bi4 Bi 0.77680 0.73182 0.55519 1.00000
Pb1 Pb 0.66730 0.00225 0.33360 1.00000
Pb2 Pb 0.33270 0.99775 0.66640 1.00000
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