B7C5
Alexandria ALEXAlex-ID: agm006147656 · 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_205_spg8
B4C C
2023-08-18 11:35:04.228527
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147656).
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 agm006147656
data_agm006147656
_cell_length_a 6.42970
_cell_length_b 7.60777
_cell_length_c 7.60777
_cell_angle_alpha 159.97267
_cell_angle_beta 140.63513
_cell_angle_gamma 45.44670
_cell_volume 80.30481
_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 0.01985 0.31412 0.70573 1.00000
B2 B 0.67226 0.31984 0.35243 1.00000
B3 B 0.53504 0.16951 0.36554 1.00000
B4 B 0.08459 0.10717 0.97743 1.00000
B5 B 0.95295 0.96714 0.98581 1.00000
B6 B 0.62544 0.98333 0.64211 1.00000
B7 B 0.99311 0.67432 0.31878 1.00000
C1 C 0.54376 0.85106 0.69270 1.00000
C2 C 0.17586 0.79863 0.37723 1.00000
C3 C 0.60091 0.62054 0.98037 1.00000
C4 C 0.46142 0.50327 0.95814 1.00000
C5 C 0.08481 0.44109 0.64373 1.00000
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