U3O10
Alexandria ALEXAlex-ID: agm005291345 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B10_18_spg2
UO3 O2
2023-05-06 15:07:02.269243
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005291345).
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 agm005291345
data_agm005291345
_cell_length_a 5.52702
_cell_length_b 5.87035
_cell_length_c 7.22967
_cell_angle_alpha 76.97109
_cell_angle_beta 72.10026
_cell_angle_gamma 73.65229
_cell_volume 211.69811
_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 0.00000 0.00000 1.00000
U2 U 0.55559 0.43055 0.73335 1.00000
U3 U 0.44441 0.56945 0.26665 1.00000
O1 O 0.90054 0.06300 0.76421 1.00000
O2 O 0.09946 0.93700 0.23579 1.00000
O3 O 0.66501 0.31673 0.45567 1.00000
O4 O 0.33499 0.68327 0.54433 1.00000
O5 O 0.30553 0.69166 0.95216 1.00000
O6 O 0.69447 0.30834 0.04784 1.00000
O7 O 0.69715 0.76158 0.16140 1.00000
O8 O 0.30285 0.23842 0.83860 1.00000
O9 O 0.80269 0.60556 0.66693 1.00000
O10 O 0.19731 0.39444 0.33307 1.00000
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