UAl2B2O7
Alexandria ALEXAlex-ID: agm002199715 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_6_spg155
Al4(B2O5)3 Al4B2O9 B6O UO2
2018-07-17 02:33:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199715).
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 agm002199715
data_agm002199715
_cell_length_a 4.73097
_cell_length_b 4.73097
_cell_length_c 8.63897
_cell_angle_alpha 79.31964
_cell_angle_beta 79.31964
_cell_angle_gamma 59.50122
_cell_volume 162.76482
_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 0.28963 0.27259 0.20964 1.00000
B2 B 0.72741 0.71037 0.79036 1.00000
U1 U 0.93850 0.06150 1.00000 1.00000
Al1 Al 0.41299 0.41960 0.69566 1.00000
Al2 Al 0.58040 0.58701 0.30434 1.00000
O1 O 0.44912 0.66786 0.82083 1.00000
O2 O 0.71075 0.01451 0.77023 1.00000
O3 O 0.03003 0.42755 0.76611 1.00000
O4 O 0.47110 0.52890 0.50000 1.00000
O5 O 0.57245 0.96997 0.23389 1.00000
O6 O 0.98549 0.28925 0.22977 1.00000
O7 O 0.33214 0.55088 0.17917 1.00000
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