B4C
Alexandria ALEXAlex-ID: agm006147288 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_831_spg12
B4C
2023-08-18 10:22:43.513511
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147288).
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 agm006147288
data_agm006147288
_cell_length_a 5.20686
_cell_length_b 5.20687
_cell_length_c 7.87618
_cell_angle_alpha 125.29193
_cell_angle_beta 125.29193
_cell_angle_gamma 30.22939
_cell_volume 86.13057
_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 0.01568 0.01568 0.03018 1.00000
B2 B 0.17826 0.17826 0.01336 1.00000
B3 B 0.22174 0.22174 0.83664 1.00000
B4 B 0.38432 0.38432 0.81982 1.00000
B5 B 0.59301 0.59301 0.77666 1.00000
B6 B 0.59475 0.59475 0.32219 1.00000
B7 B 0.80525 0.80525 0.52781 1.00000
B8 B 0.80699 0.80699 0.07334 1.00000
C1 C 0.39724 0.39724 0.62812 1.00000
C2 C 0.00276 0.00276 0.22188 1.00000
