B5C7
Alexandria ALEXAlex-ID: agm006147708 · 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
A5B7_160_spg8
B4C C
2023-08-18 10:38:42.406241
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147708).
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 agm006147708
data_agm006147708
_cell_length_a 7.05804
_cell_length_b 6.54246
_cell_length_c 6.54246
_cell_angle_alpha 157.09463
_cell_angle_beta 139.51934
_cell_angle_gamma 46.56478
_cell_volume 76.23204
_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 0.99377 0.33628 0.65749 1.00000
B2 B 0.17773 0.16548 0.01225 1.00000
B3 B 0.96439 0.00222 0.96218 1.00000
B4 B 0.17671 0.77296 0.40374 1.00000
B5 B 0.94175 0.63467 0.30708 1.00000
C1 C 0.64884 0.29287 0.35597 1.00000
C2 C 0.51614 0.17138 0.34476 1.00000
C3 C 0.59879 0.95664 0.64216 1.00000
C4 C 0.52771 0.83430 0.69341 1.00000
C5 C 0.60307 0.62000 0.98307 1.00000
C6 C 0.46931 0.49810 0.97121 1.00000
C7 C 0.13179 0.46511 0.66668 1.00000
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