BC2
Alexandria ALEXAlex-ID: agm006147553 · 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
AB2_3538_spg8
B4C C
2023-08-18 11:55:02.350262
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147553).
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 agm006147553
data_agm006147553
_cell_length_a 7.10968
_cell_length_b 7.16586
_cell_length_c 7.16586
_cell_angle_alpha 159.51281
_cell_angle_beta 143.10772
_cell_angle_gamma 42.60684
_cell_volume 76.55535
_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 0.06609 0.34006 0.72603 1.00000
B2 B 0.60510 0.27615 0.32895 1.00000
B3 B 0.99651 0.00524 0.99127 1.00000
B4 B 0.48414 0.84512 0.63902 1.00000
C1 C 0.49760 0.15979 0.33782 1.00000
C2 C 0.12186 0.12756 0.99430 1.00000
C3 C 0.62004 0.96436 0.65567 1.00000
C4 C 0.08805 0.78150 0.30655 1.00000
C5 C 0.99697 0.66585 0.33113 1.00000
C6 C 0.61946 0.62142 0.99804 1.00000
C7 C 0.50637 0.50472 0.00165 1.00000
C8 C 0.14781 0.45824 0.68957 1.00000
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