B5C
Alexandria ALEXAlex-ID: agm006149368 · 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
AB5_788_spg8
B13C2 B4C
2023-08-18 11:05:35.579230
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149368).
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 agm006149368
data_agm006149368
_cell_length_a 4.59225
_cell_length_b 4.59221
_cell_length_c 4.94405
_cell_angle_alpha 96.58322
_cell_angle_beta 96.58165
_cell_angle_gamma 119.69984
_cell_volume 88.17588
_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 0.16952 0.85313 0.53510 1.00000
B2 B 0.06232 0.63218 0.13534 1.00000
B3 B 0.51979 0.50284 0.53510 1.00000
B4 B 0.29884 0.39563 0.13533 1.00000
B5 B 0.48556 0.81887 0.07789 1.00000
B6 B 0.14379 0.47712 0.43337 1.00000
B7 B 0.80196 0.13529 0.52901 1.00000
B8 B 0.84590 0.17925 0.16294 1.00000
B9 B 0.57549 0.29443 0.96640 1.00000
B10 B 0.96102 0.90878 0.96639 1.00000
C1 C 0.52340 0.19574 0.63657 1.00000
C2 C 0.86240 0.85674 0.63657 1.00000
获取直接链接