B6W3C11
Alexandria ALEXAlex-ID: agm070938375 · 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
A3B6C11_20_spg1
B2W C
2024-07-19 09:05:40.384157
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070938375).
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 agm070938375
data_agm070938375
_cell_length_a 5.97652
_cell_length_b 7.47227
_cell_length_c 9.09055
_cell_angle_alpha 109.24990
_cell_angle_beta 94.88057
_cell_angle_gamma 82.59672
_cell_volume 379.68082
_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 0.83604 0.89018 0.65360 1.00000
B2 B 0.21656 0.26850 0.41037 1.00000
B3 B 0.82272 0.81651 0.27805 1.00000
B4 B 0.19256 0.20705 0.82394 1.00000
B5 B 0.77956 0.53793 0.38159 1.00000
B6 B 0.14177 0.61653 0.91166 1.00000
B7 B 0.87937 0.22818 0.34141 1.00000
B8 B 0.18087 0.83494 0.70070 1.00000
B9 B 0.68895 0.25992 0.74290 1.00000
B10 B 0.27273 0.69986 0.18759 1.00000
B11 B 0.73052 0.65271 0.87561 1.00000
B12 B 0.24593 0.33022 0.13770 1.00000
W1 W 0.57231 0.06525 0.38239 1.00000
W2 W 0.47071 0.81816 0.55711 1.00000
W3 W 0.07108 0.02363 0.45250 1.00000
W4 W 0.90563 0.38829 0.98821 1.00000
W5 W 0.06220 0.48174 0.59566 1.00000
W6 W 0.60971 0.16358 0.11062 1.00000
C1 C 0.72047 0.06710 0.60624 1.00000
C2 C 0.35151 0.83300 0.34553 1.00000
C3 C 0.55396 0.73098 0.00652 1.00000
C4 C 0.39090 0.26445 0.95507 1.00000
C5 C 0.62846 0.36617 0.33501 1.00000
C6 C 0.31229 0.63552 0.62277 1.00000
C7 C 0.66307 0.88001 0.13999 1.00000
C8 C 0.23936 0.03119 0.66917 1.00000
C9 C 0.59681 0.28769 0.90931 1.00000
C10 C 0.34475 0.68238 0.02315 1.00000
C11 C 0.80704 0.67966 0.55072 1.00000
C12 C 0.40169 0.29860 0.30437 1.00000
C13 C 0.80760 0.44474 0.76874 1.00000
C14 C 0.11765 0.54700 0.18820 1.00000
C15 C 0.90191 0.60228 0.25867 1.00000
C16 C 0.07549 0.41392 0.80266 1.00000
C17 C 0.98314 0.90850 0.81935 1.00000
C18 C 0.97226 0.08827 0.17214 1.00000
C19 C 0.87509 0.91517 0.08252 1.00000
C20 C 0.04931 0.09473 0.91209 1.00000
C21 C 0.09581 0.15767 0.07649 1.00000
C22 C 0.93220 0.78780 0.91965 1.00000
