BC
Alexandria ALEXAlex-ID: agm006147707 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_3533_spg8
B4C C
2023-08-18 12:23:21.328346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147707).
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 agm006147707
data_agm006147707
_cell_length_a 7.19355
_cell_length_b 7.36740
_cell_length_c 7.36740
_cell_angle_alpha 158.97014
_cell_angle_beta 143.86005
_cell_angle_gamma 42.32283
_cell_volume 82.44291
_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 0.96097 0.33849 0.62248 1.00000
B2 B 0.53072 0.29133 0.23939 1.00000
B3 B 0.51788 0.14723 0.37065 1.00000
B4 B 0.97987 0.97362 0.00625 1.00000
B5 B 0.14913 0.79011 0.35902 1.00000
B6 B 0.01095 0.65622 0.35473 1.00000
C1 C 0.20545 0.17739 0.02806 1.00000
C2 C 0.61698 0.95954 0.65744 1.00000
C3 C 0.51466 0.84880 0.66586 1.00000
C4 C 0.63175 0.61321 0.01854 1.00000
C5 C 0.50002 0.49616 0.00385 1.00000
C6 C 0.13162 0.45789 0.67373 1.00000
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