Ac2Bi2Au
Alexandria ALEXAlex-ID: agm005961791 · 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
AB2C2_2078_spg12
AcBi AcAu2 Ac3Bi4Au3
2023-08-03 11:00:14.753131
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961791).
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 agm005961791
data_agm005961791
_cell_length_a 4.75816
_cell_length_b 6.81028
_cell_length_c 11.77773
_cell_angle_alpha 82.11160
_cell_angle_beta 78.34617
_cell_angle_gamma 69.55327
_cell_volume 349.30781
_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
Ac1 Ac 0.69161 0.27544 0.34134 1.00000
Ac2 Ac 0.92060 0.26393 0.89487 1.00000
Ac3 Ac 0.30839 0.72456 0.65866 1.00000
Ac4 Ac 0.07940 0.73607 0.10513 1.00000
Bi1 Bi 0.08694 0.26527 0.56085 1.00000
Bi2 Bi 0.65881 0.81280 0.86957 1.00000
Bi3 Bi 0.91306 0.73473 0.43915 1.00000
Bi4 Bi 0.34119 0.18720 0.13043 1.00000
Au1 Au 0.51645 0.24778 0.71932 1.00000
Au2 Au 0.48355 0.75222 0.28068 1.00000
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