B2C
Alexandria ALEXAlex-ID: agm006148290 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_3573_spg11
B4C C
2023-08-18 15:02:25.884185
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148290).
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 agm006148290
data_agm006148290
_cell_length_a 2.83681
_cell_length_b 4.84674
_cell_length_c 5.90672
_cell_angle_alpha 69.20815
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 75.92425
_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 0.25000 0.23978 0.23930 1.00000
B2 B 0.25000 0.22429 0.91881 1.00000
B3 B 0.25000 0.88474 0.88116 1.00000
B4 B 0.75000 0.12733 0.45727 1.00000
B5 B 0.75000 0.11526 0.11884 1.00000
B6 B 0.75000 0.77571 0.08119 1.00000
B7 B 0.75000 0.76022 0.76070 1.00000
B8 B 0.25000 0.87267 0.54273 1.00000
C1 C 0.25000 0.59277 0.18944 1.00000
C2 C 0.75000 0.40847 0.55154 1.00000
C3 C 0.75000 0.40723 0.81056 1.00000
C4 C 0.25000 0.59153 0.44846 1.00000
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