V(BC3)4
Alexandria ALEXAlex-ID: agm071336760 · 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
VB2 B4C C
2024-08-05 11:36:05.394561
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336760).
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 agm071336760
data_agm071336760
_cell_length_a 10.09410
_cell_length_b 10.09410
_cell_length_c 10.09410
_cell_angle_alpha 150.35203
_cell_angle_beta 150.35203
_cell_angle_gamma 42.42490
_cell_volume 251.05279
_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
V1 V 0.00000 0.00000 0.00000 1.00000
V2 V 0.75000 0.25000 0.50000 1.00000
B1 B 0.37500 0.82475 0.94975 1.00000
B2 B 0.37500 0.42525 0.55025 1.00000
B3 B 0.87500 0.42525 0.05025 1.00000
B4 B 0.87500 0.82475 0.44975 1.00000
B5 B 0.17525 0.62500 0.05025 1.00000
B6 B 0.57475 0.62500 0.44975 1.00000
B7 B 0.57475 0.12500 0.94975 1.00000
B8 B 0.17525 0.12500 0.55025 1.00000
C1 C 0.50427 0.71738 0.21311 1.00000
C2 C 0.24573 0.53262 0.28689 1.00000
C3 C 0.50427 0.29116 0.78689 1.00000
C4 C 0.24573 0.95884 0.71311 1.00000
C5 C 0.04116 0.75427 0.28689 1.00000
C6 C 0.70884 0.49573 0.21311 1.00000
C7 C 0.46738 0.75427 0.71311 1.00000
C8 C 0.28262 0.49573 0.78689 1.00000
C9 C 0.43901 0.80373 0.36472 1.00000
C10 C 0.31099 0.44627 0.13528 1.00000
C11 C 0.43901 0.07430 0.63528 1.00000
C12 C 0.31099 0.17570 0.86472 1.00000
C13 C 0.82430 0.68901 0.13528 1.00000
C14 C 0.92570 0.56099 0.36472 1.00000
C15 C 0.55373 0.68901 0.86472 1.00000
C16 C 0.19627 0.56099 0.63528 1.00000
C17 C 0.58056 0.92411 0.34355 1.00000
C18 C 0.16944 0.32589 0.15645 1.00000
C19 C 0.58056 0.23700 0.65645 1.00000
C20 C 0.16944 0.01300 0.84355 1.00000
C21 C 0.98700 0.83056 0.15645 1.00000
C22 C 0.76300 0.41944 0.34355 1.00000
C23 C 0.67411 0.83056 0.84355 1.00000
C24 C 0.07589 0.41944 0.65645 1.00000
