Bi2Pd5Au
Alexandria ALEXAlex-ID: agm006014739 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1119_spg62
Bi2Pd5 PdAu3 BiPd
2023-09-10 19:36:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014739).
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 agm006014739
data_agm006014739
_cell_length_a 4.56370
_cell_length_b 14.43020
_cell_length_c 9.54497
_cell_angle_alpha 90.00167
_cell_angle_beta 89.99976
_cell_angle_gamma 90.00000
_cell_volume 628.58540
_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 0.25000 0.60571 0.00179 1.00000
Bi2 Bi 0.75000 0.39429 0.99821 1.00000
Bi3 Bi 0.75000 0.89434 0.50175 1.00000
Bi4 Bi 0.25000 0.10566 0.49825 1.00000
Bi5 Bi 0.24999 0.10587 0.86533 1.00000
Bi6 Bi 0.75001 0.89413 0.13467 1.00000
Bi7 Bi 0.74999 0.39408 0.36530 1.00000
Bi8 Bi 0.25001 0.60592 0.63470 1.00000
Pd1 Pd 0.25000 0.76620 0.81576 1.00000
Pd2 Pd 0.75000 0.23380 0.18424 1.00000
Pd3 Pd 0.75000 0.73389 0.31583 1.00000
Pd4 Pd 0.25000 0.26611 0.68417 1.00000
Pd5 Pd 0.24999 0.44157 0.19563 1.00000
Pd6 Pd 0.75001 0.55843 0.80437 1.00000
Pd7 Pd 0.74999 0.05841 0.69558 1.00000
Pd8 Pd 0.25001 0.94159 0.30442 1.00000
Pd9 Pd 0.25000 0.77724 0.47877 1.00000
Pd10 Pd 0.75000 0.22276 0.52123 1.00000
Pd11 Pd 0.75000 0.72282 0.97871 1.00000
Pd12 Pd 0.25000 0.27718 0.02129 1.00000
Pd13 Pd 0.75000 0.72779 0.65358 1.00000
Pd14 Pd 0.25000 0.27221 0.34642 1.00000
Pd15 Pd 0.25000 0.77228 0.15361 1.00000
Pd16 Pd 0.75000 0.22772 0.84639 1.00000
Pd17 Pd 0.24999 0.93843 0.67514 1.00000
Pd18 Pd 0.75001 0.06157 0.32486 1.00000
Pd19 Pd 0.74999 0.56160 0.17519 1.00000
Pd20 Pd 0.25001 0.43840 0.82481 1.00000
Au1 Au 0.75000 0.88870 0.83521 1.00000
Au2 Au 0.25000 0.11130 0.16479 1.00000
Au3 Au 0.25000 0.61138 0.33521 1.00000
Au4 Au 0.75000 0.38862 0.66479 1.00000
