BC2
Alexandria ALEXAlex-ID: agm006149178 · 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
AB2_3632_spg8
B4C C
2023-08-18 12:00:17.072454
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149178).
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 agm006149178
data_agm006149178
_cell_length_a 4.58025
_cell_length_b 4.54525
_cell_length_c 4.58988
_cell_angle_alpha 100.30649
_cell_angle_beta 101.78710
_cell_angle_gamma 119.32194
_cell_volume 77.07610
_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 0.15129 0.87888 0.48680 1.00000
B2 B 0.33426 0.67634 0.03294 1.00000
B3 B 0.23774 0.51645 0.61966 1.00000
B4 B 0.79717 0.13529 0.49225 1.00000
C1 C 0.02671 0.70601 0.12280 1.00000
C2 C 0.51678 0.49815 0.49213 1.00000
C3 C 0.37947 0.36268 0.12413 1.00000
C4 C 0.72559 0.06231 0.10912 1.00000
C5 C 0.66887 0.33740 0.99719 1.00000
C6 C 0.54256 0.21426 0.63673 1.00000
C7 C 0.00072 0.00155 0.99824 1.00000
C8 C 0.86883 0.86068 0.63802 1.00000
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