BC
Alexandria ALEXAlex-ID: agm006147407 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_3522_spg8
B4C C
2023-08-18 12:16:02.414536
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147407).
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 agm006147407
data_agm006147407
_cell_length_a 6.58904
_cell_length_b 6.58904
_cell_length_c 6.58904
_cell_angle_alpha 156.65636
_cell_angle_beta 143.04070
_cell_angle_gamma 44.17559
_cell_volume 67.99004
_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 0.82789 0.50000 0.32789 1.00000
B2 B 0.18318 0.20327 0.97991 1.00000
B3 B 0.33901 0.38202 0.95699 1.00000
B4 B 0.57497 0.61798 0.95699 1.00000
B5 B 0.77664 0.79673 0.97991 1.00000
C1 C 0.03864 1.00000 0.03864 1.00000
C2 C 0.94889 0.68856 0.26033 1.00000
C3 C 0.14272 0.89822 0.24450 1.00000
C4 C 0.34628 0.10178 0.24450 1.00000
C5 C 0.57178 0.31144 0.26033 1.00000
获取直接链接