Yb5Bi3
Alexandria ALEXAlex-ID: agm005247235 · 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
A3B5_59_spg62
Yb5Bi3
2023-04-21 01:32:19.564845
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005247235).
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 agm005247235
data_agm005247235
_cell_length_a 8.38995
_cell_length_b 9.75094
_cell_length_c 12.54250
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1026.10083
_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
Yb1 Yb 0.80307 0.54744 0.07245 1.00000
Yb2 Yb 0.81346 0.25000 0.76753 1.00000
Yb3 Yb 0.03160 0.75000 0.50463 1.00000
Yb4 Yb 0.34238 0.25000 0.70961 1.00000
Yb5 Yb 0.19693 0.04744 0.92755 1.00000
Yb6 Yb 0.53160 0.25000 0.99537 1.00000
Yb7 Yb 0.84238 0.75000 0.79039 1.00000
Yb8 Yb 0.31346 0.75000 0.73247 1.00000
Yb9 Yb 0.30307 0.45256 0.42755 1.00000
Yb10 Yb 0.68654 0.25000 0.26753 1.00000
Yb11 Yb 0.46840 0.75000 0.00463 1.00000
Yb12 Yb 0.69693 0.54744 0.57245 1.00000
Yb13 Yb 0.96840 0.25000 0.49537 1.00000
Yb14 Yb 0.15762 0.25000 0.20961 1.00000
Yb15 Yb 0.18654 0.75000 0.23247 1.00000
Yb16 Yb 0.19693 0.45256 0.92755 1.00000
Yb17 Yb 0.80307 0.95256 0.07245 1.00000
Yb18 Yb 0.69693 0.95256 0.57245 1.00000
Yb19 Yb 0.30307 0.04744 0.42755 1.00000
Yb20 Yb 0.65762 0.75000 0.29039 1.00000
Bi1 Bi 0.06247 0.01132 0.67331 1.00000
Bi2 Bi 0.93753 0.98868 0.32669 1.00000
Bi3 Bi 0.06247 0.48868 0.67331 1.00000
Bi4 Bi 0.41734 0.75000 0.48267 1.00000
Bi5 Bi 0.56247 0.98868 0.82669 1.00000
Bi6 Bi 0.43753 0.01132 0.17331 1.00000
Bi7 Bi 0.58266 0.25000 0.51733 1.00000
Bi8 Bi 0.43753 0.48868 0.17331 1.00000
Bi9 Bi 0.56247 0.51132 0.82669 1.00000
Bi10 Bi 0.08266 0.75000 0.98267 1.00000
Bi11 Bi 0.91734 0.25000 0.01733 1.00000
Bi12 Bi 0.93753 0.51132 0.32669 1.00000
