B4OsC12
Alexandria ALEXAlex-ID: agm071336734 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_286_spg141
B3Os2 C B4C
2024-08-05 11:27:10.040436
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336734).
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 agm071336734
data_agm071336734
_cell_length_a 10.13395
_cell_length_b 10.13395
_cell_length_c 10.13395
_cell_angle_alpha 150.44473
_cell_angle_beta 150.44473
_cell_angle_gamma 42.28897
_cell_volume 252.60338
_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 0.87500 0.42344 0.04844 1.00000
B2 B 0.87500 0.82656 0.45156 1.00000
B3 B 0.37500 0.82656 0.95156 1.00000
B4 B 0.37500 0.42344 0.54844 1.00000
B5 B 0.57656 0.12500 0.95156 1.00000
B6 B 0.17344 0.12500 0.54844 1.00000
B7 B 0.17344 0.62500 0.04844 1.00000
B8 B 0.57656 0.62500 0.45156 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.75000 0.25000 0.50000 1.00000
C1 C 0.50447 0.29164 0.78716 1.00000
C2 C 0.24553 0.95836 0.71284 1.00000
C3 C 0.50447 0.71731 0.21284 1.00000
C4 C 0.24553 0.53269 0.28716 1.00000
C5 C 0.46731 0.75447 0.71284 1.00000
C6 C 0.28269 0.49553 0.78716 1.00000
C7 C 0.04164 0.75447 0.28716 1.00000
C8 C 0.70836 0.49553 0.21284 1.00000
C9 C 0.43961 0.07398 0.63437 1.00000
C10 C 0.31039 0.17602 0.86563 1.00000
C11 C 0.43961 0.80524 0.36563 1.00000
C12 C 0.31039 0.44476 0.13437 1.00000
C13 C 0.55524 0.68961 0.86563 1.00000
C14 C 0.19476 0.56039 0.63437 1.00000
C15 C 0.82398 0.68961 0.13437 1.00000
C16 C 0.92602 0.56039 0.36563 1.00000
C17 C 0.58040 0.23765 0.65724 1.00000
C18 C 0.16960 0.01235 0.84276 1.00000
C19 C 0.58040 0.92316 0.34276 1.00000
C20 C 0.16960 0.32684 0.15724 1.00000
C21 C 0.67316 0.83040 0.84276 1.00000
C22 C 0.07684 0.41960 0.65724 1.00000
C23 C 0.98765 0.83040 0.15724 1.00000
C24 C 0.76235 0.41960 0.34276 1.00000
