U(BOs)2
Alexandria ALEXAlex-ID: agm002199719 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_172_spg15
UB4Os U2BOs6 UB2
2018-07-09 07:24:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199719).
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
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# CIF generated by HEAS from Alexandria entry agm002199719
data_agm002199719
_cell_length_a 5.54787
_cell_length_b 5.54789
_cell_length_c 5.96848
_cell_angle_alpha 109.50622
_cell_angle_beta 109.50943
_cell_angle_gamma 106.32250
_cell_volume 146.42318
_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
Os1 Os 0.76353 0.51378 0.02698 1.00000
Os2 Os 0.51379 0.76353 0.52698 1.00000
Os3 Os 0.23647 0.48622 0.97302 1.00000
Os4 Os 0.48621 0.23647 0.47302 1.00000
B1 B 0.81442 0.18558 0.75001 1.00000
B2 B 0.56462 0.43539 0.25001 1.00000
B3 B 0.43538 0.56461 0.74999 1.00000
B4 B 0.18558 0.81442 0.24999 1.00000
U1 U 0.12479 0.87522 0.75000 1.00000
U2 U 0.87521 0.12478 0.25000 1.00000
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