B4C13
Alexandria ALEXAlex-ID: agm071336720 · 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
A4B13_8_spg141
B4C C
2024-08-05 11:32:38.418798
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336720).
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 agm071336720
data_agm071336720
_cell_length_a 10.15022
_cell_length_b 10.15022
_cell_length_c 10.15022
_cell_angle_alpha 150.84471
_cell_angle_beta 150.84471
_cell_angle_gamma 41.70286
_cell_volume 247.63222
_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 0.37500 0.82434 0.94934 1.00000
B2 B 0.37500 0.42566 0.55066 1.00000
B3 B 0.87500 0.42566 0.05066 1.00000
B4 B 0.87500 0.82434 0.44934 1.00000
B5 B 0.17566 0.62500 0.05066 1.00000
B6 B 0.57434 0.62500 0.44934 1.00000
B7 B 0.57434 0.12500 0.94934 1.00000
B8 B 0.17566 0.12500 0.55066 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.75000 0.25000 0.50000 1.00000
C3 C 0.50487 0.71988 0.21501 1.00000
C4 C 0.24513 0.53012 0.28499 1.00000
C5 C 0.50487 0.28986 0.78499 1.00000
C6 C 0.24513 0.96014 0.71501 1.00000
C7 C 0.03986 0.75487 0.28499 1.00000
C8 C 0.71014 0.49513 0.21501 1.00000
C9 C 0.46988 0.75487 0.71501 1.00000
C10 C 0.28012 0.49513 0.78499 1.00000
C11 C 0.44036 0.80713 0.36677 1.00000
C12 C 0.30964 0.44287 0.13323 1.00000
C13 C 0.44036 0.07358 0.63323 1.00000
C14 C 0.30964 0.17642 0.86677 1.00000
C15 C 0.82358 0.69036 0.13323 1.00000
C16 C 0.92642 0.55964 0.36677 1.00000
C17 C 0.55713 0.69036 0.86677 1.00000
C18 C 0.19287 0.55964 0.63323 1.00000
C19 C 0.58057 0.92490 0.34433 1.00000
C20 C 0.16943 0.32510 0.15567 1.00000
C21 C 0.58057 0.23624 0.65567 1.00000
C22 C 0.16943 0.01376 0.84433 1.00000
C23 C 0.98624 0.83057 0.15567 1.00000
C24 C 0.76376 0.41943 0.34433 1.00000
C25 C 0.67490 0.83057 0.84433 1.00000
C26 C 0.07510 0.41943 0.65567 1.00000
