BC2
Alexandria ALEXAlex-ID: agm006149157 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_3632_spg8
B4C C
2023-08-18 12:02:13.581212
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149157).
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 agm006149157
data_agm006149157
_cell_length_a 4.61310
_cell_length_b 4.58636
_cell_length_c 4.44097
_cell_angle_alpha 102.92589
_cell_angle_beta 96.52712
_cell_angle_gamma 120.18479
_cell_volume 76.25606
_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 0.20128 0.82946 0.51081 1.00000
B2 B 0.99011 0.70549 0.10192 1.00000
B3 B 0.35290 0.67373 0.03607 1.00000
B4 B 0.83160 0.16292 0.49824 1.00000
C1 C 0.50219 0.49136 0.50646 1.00000
C2 C 0.36985 0.36098 0.13364 1.00000
C3 C 0.23030 0.54969 0.63731 1.00000
C4 C 0.72017 0.06373 0.10796 1.00000
C5 C 0.64223 0.31829 0.99488 1.00000
C6 C 0.55063 0.22239 0.63214 1.00000
C7 C 0.99331 0.01132 0.98464 1.00000
C8 C 0.86542 0.86063 0.60592 1.00000
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