RbBi12Au7
Alexandria ALEXAlex-ID: agm005802109 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_30_spg148
Rb(BiAu)4 Bi2Au RbBi2
2023-07-20 18:41:32.931302
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802109).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005802109
data_agm005802109
_cell_length_a 7.83313
_cell_length_b 9.64666
_cell_length_c 9.64666
_cell_angle_alpha 67.03877
_cell_angle_beta 74.29597
_cell_angle_gamma 105.70402
_cell_volume 585.02863
_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
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.80100 0.51052 0.16421 1.00000
Bi2 Bi 0.03479 0.83579 0.67473 1.00000
Bi3 Bi 0.42407 0.28549 0.06734 1.00000
Bi4 Bi 0.50859 0.93266 0.35283 1.00000
Bi5 Bi 0.70952 0.67473 0.48948 1.00000
Bi6 Bi 0.86143 0.35283 0.71451 1.00000
Bi7 Bi 0.13857 0.64717 0.28549 1.00000
Bi8 Bi 0.29048 0.32527 0.51052 1.00000
Bi9 Bi 0.49141 0.06734 0.64717 1.00000
Bi10 Bi 0.57593 0.71451 0.93266 1.00000
Bi11 Bi 0.96521 0.16421 0.32527 1.00000
Bi12 Bi 0.19900 0.48948 0.83579 1.00000
Au1 Au 0.79755 0.24918 0.06866 1.00000
Au2 Au 0.13379 0.93134 0.31785 1.00000
Au3 Au 0.45163 0.31785 0.75082 1.00000
Au4 Au 0.50000 0.00000 0.00000 1.00000
Au5 Au 0.54837 0.68215 0.24918 1.00000
Au6 Au 0.86621 0.06866 0.68215 1.00000
Au7 Au 0.20245 0.75082 0.93134 1.00000
