B7C5
Alexandria ALEXAlex-ID: agm006149264 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B7_258_spg1
B4C C
2023-08-18 11:40:06.793672
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149264).
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 agm006149264
data_agm006149264
_cell_length_a 5.17269
_cell_length_b 4.34193
_cell_length_c 4.55931
_cell_angle_alpha 103.28095
_cell_angle_beta 90.65264
_cell_angle_gamma 119.34640
_cell_volume 85.93895
_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
B1 B 0.16415 0.89134 0.13200 1.00000
B2 B 0.55411 0.51044 0.56464 1.00000
B3 B 0.34104 0.39235 0.17351 1.00000
B4 B 0.37197 0.67842 0.95563 1.00000
B5 B 0.30451 0.65794 0.55820 1.00000
B6 B 0.73714 0.04646 0.48062 1.00000
B7 B 0.52630 0.15427 0.00641 1.00000
C1 C 0.14506 0.85587 0.47449 1.00000
C2 C 0.73157 0.03051 0.13578 1.00000
C3 C 0.51020 0.14973 0.65296 1.00000
C4 C 0.95429 0.98221 0.97753 1.00000
C5 C 0.90965 0.90046 0.63823 1.00000
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