B7C5
Alexandria ALEXAlex-ID: agm006149709 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B7_269_spg8
B4C C
2023-08-18 12:04:05.285970
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149709).
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 agm006149709
data_agm006149709
_cell_length_a 2.65955
_cell_length_b 2.65940
_cell_length_c 17.12259
_cell_angle_alpha 94.72051
_cell_angle_beta 90.00247
_cell_angle_gamma 120.00137
_cell_volume 104.40352
_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 0.68498 0.37019 0.85235 1.00000
B2 B 0.03918 0.07865 0.91174 1.00000
B3 B 0.31601 0.63255 0.75195 1.00000
B4 B 0.50550 0.01076 0.28729 1.00000
B5 B 0.94582 0.89097 0.52601 1.00000
B6 B 0.44929 0.89845 0.12805 1.00000
B7 B 0.80333 0.60686 0.18736 1.00000
C1 C 0.65217 0.30485 0.75995 1.00000
C2 C 0.83610 0.67196 0.27948 1.00000
C3 C 0.27918 0.55772 0.52603 1.00000
C4 C 0.07209 0.14426 0.00441 1.00000
C5 C 0.41634 0.83279 0.03538 1.00000
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