B2C
Alexandria ALEXAlex-ID: agm006148698 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_3600_spg5
B4C C
2023-08-18 15:10:08.671796
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148698).
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 agm006148698
data_agm006148698
_cell_length_a 4.33413
_cell_length_b 4.33413
_cell_length_c 5.10432
_cell_angle_alpha 73.42965
_cell_angle_beta 73.42965
_cell_angle_gamma 63.71733
_cell_volume 80.97931
_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 0.15466 0.77572 0.26221 1.00000
B2 B 0.63377 0.64987 0.14609 1.00000
B3 B 0.94830 0.40186 0.41458 1.00000
B4 B 0.39956 0.34050 0.29314 1.00000
B5 B 0.59814 0.05170 0.58542 1.00000
B6 B 0.22428 0.84534 0.73779 1.00000
B7 B 0.65950 0.60044 0.70686 1.00000
B8 B 0.35013 0.36623 0.85391 1.00000
C1 C 0.97369 0.02631 0.00000 1.00000
C2 C 0.00324 0.99676 0.50000 1.00000
C3 C 0.94967 0.39493 0.93075 1.00000
C4 C 0.60507 0.05033 0.06925 1.00000
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