U2B6Os
Alexandria ALEXAlex-ID: agm005282550 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_141_spg55
UB4Os UB2
2024-10-20 13:11:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282550).
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 agm005282550
data_agm005282550
_cell_length_a 3.59359
_cell_length_b 9.32866
_cell_length_c 11.40056
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 382.18529
_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
U1 U 0.00000 0.33764 0.40742 1.00000
U2 U 0.00000 0.66236 0.59258 1.00000
U3 U 0.00000 0.83764 0.09258 1.00000
U4 U 0.00000 0.16237 0.90742 1.00000
U5 U 0.00000 0.95678 0.39547 1.00000
U6 U 0.00000 0.04322 0.60453 1.00000
U7 U 0.00000 0.45678 0.10453 1.00000
U8 U 0.00000 0.54322 0.89547 1.00000
B1 B 0.50000 0.54967 0.43337 1.00000
B2 B 0.50000 0.45033 0.56663 1.00000
B3 B 0.50000 0.04967 0.06663 1.00000
B4 B 0.50000 0.95033 0.93337 1.00000
B5 B 0.50000 0.74272 0.42355 1.00000
B6 B 0.50000 0.25728 0.57645 1.00000
B7 B 0.50000 0.24272 0.07645 1.00000
B8 B 0.50000 0.75728 0.92355 1.00000
B9 B 0.50000 0.80597 0.27232 1.00000
B10 B 0.50000 0.19403 0.72768 1.00000
B11 B 0.50000 0.30597 0.22768 1.00000
B12 B 0.50000 0.69403 0.77232 1.00000
B13 B 0.50000 0.64596 0.18838 1.00000
B14 B 0.50000 0.35404 0.81162 1.00000
B15 B 0.50000 0.14596 0.31162 1.00000
B16 B 0.50000 0.85404 0.68838 1.00000
B17 B 0.50000 0.98543 0.21892 1.00000
B18 B 0.50000 0.01457 0.78108 1.00000
B19 B 0.50000 0.48543 0.28108 1.00000
B20 B 0.50000 0.51457 0.71892 1.00000
B21 B 0.50000 0.64440 0.03986 1.00000
B22 B 0.50000 0.35560 0.96014 1.00000
B23 B 0.50000 0.14440 0.46014 1.00000
B24 B 0.50000 0.85560 0.53986 1.00000
Os1 Os 0.00000 0.64547 0.32017 1.00000
Os2 Os 0.00000 0.35453 0.67983 1.00000
Os3 Os 0.00000 0.14547 0.17983 1.00000
Os4 Os 0.00000 0.85453 0.82017 1.00000
