Bi4Pb3Au7
Alexandria ALEXAlex-ID: agm010005745 · 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
A3B4C7_8_spg12
BiPbAu2 BiAu
2024-03-22 09:18:45.009708
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010005745).
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 agm010005745
data_agm010005745
_cell_length_a 4.54648
_cell_length_b 8.85333
_cell_length_c 9.49463
_cell_angle_alpha 97.08400
_cell_angle_beta 103.77877
_cell_angle_gamma 104.21428
_cell_volume 353.03903
_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
Bi1 Bi 0.15168 0.82536 0.47731 1.00000
Bi2 Bi 0.84832 0.17464 0.52269 1.00000
Bi3 Bi 0.77501 0.62269 0.92203 1.00000
Bi4 Bi 0.22499 0.37731 0.07797 1.00000
Pb1 Pb 0.50513 0.83416 0.18032 1.00000
Pb2 Pb 0.49487 0.16584 0.81968 1.00000
Pb3 Pb 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.10427 0.46905 0.73092 1.00000
Au2 Au 0.67613 0.18734 0.16233 1.00000
Au3 Au 0.21545 0.10548 0.32241 1.00000
Au4 Au 0.89573 0.53095 0.26908 1.00000
Au5 Au 0.78455 0.89452 0.67759 1.00000
Au6 Au 0.00000 0.00000 0.00000 1.00000
Au7 Au 0.32387 0.81266 0.83767 1.00000
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