CeU7O12
Alexandria ALEXAlex-ID: agm013206499 · 空间群: I2_12_12_1 (#24)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_12_spg24
Ce6UO12 UO2 U
2024-06-24 11:35:48.250658
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013206499).
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 agm013206499
data_agm013206499
_cell_length_a 9.42806
_cell_length_b 9.42806
_cell_length_c 9.42806
_cell_angle_alpha 109.37747
_cell_angle_beta 109.53486
_cell_angle_gamma 109.50138
_cell_volume 645.12524
_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
Ce1 Ce 0.73818 0.98818 0.75000 1.00000
Ce2 Ce 0.76182 0.51182 0.25000 1.00000
U1 U 0.23581 0.48581 0.75000 1.00000
U2 U 0.00379 0.00062 0.50033 1.00000
U3 U 0.75000 0.26509 0.51509 1.00000
U4 U 0.25000 0.23491 0.98491 1.00000
U5 U 0.01503 0.25000 0.26503 1.00000
U6 U 0.51355 0.25000 0.76355 1.00000
U7 U 0.49621 0.99654 0.99684 1.00000
U8 U 0.49970 0.49938 0.50316 1.00000
U9 U 0.00030 0.50346 0.99967 1.00000
U10 U 0.26419 0.01419 0.25000 1.00000
U11 U 0.48497 0.75000 0.23497 1.00000
U12 U 0.98645 0.75000 0.73645 1.00000
U13 U 0.25000 0.73440 0.48440 1.00000
U14 U 0.75000 0.76560 0.01560 1.00000
O1 O 0.48911 0.25101 0.51264 1.00000
O2 O 0.26162 0.24899 0.73809 1.00000
O3 O 0.03056 0.76639 0.51485 1.00000
O4 O 0.24660 0.48505 0.01093 1.00000
O5 O 0.46944 0.98429 0.73583 1.00000
O6 O 0.25340 0.26432 0.23844 1.00000
O7 O 0.23838 0.97647 0.98736 1.00000
O8 O 0.01089 0.52353 0.76191 1.00000
O9 O 0.76126 0.24575 0.75351 1.00000
O10 O 0.01626 0.99162 0.25321 1.00000
O11 O 0.26159 0.50838 0.52465 1.00000
O12 O 0.50776 0.25425 0.01552 1.00000
O13 O 0.48374 0.73694 0.97535 1.00000
O14 O 0.23841 0.76306 0.24679 1.00000
O15 O 0.73874 0.49224 0.48448 1.00000
O16 O 0.99224 0.00776 0.74649 1.00000
O17 O 0.99647 0.47450 0.23352 1.00000
O18 O 0.75902 0.02550 0.02197 1.00000
O19 O 0.52588 0.01495 0.26156 1.00000
O20 O 0.74846 0.73361 0.76417 1.00000
O21 O 0.97412 0.23568 0.48907 1.00000
O22 O 0.75154 0.51571 0.98515 1.00000
O23 O 0.50353 0.73705 0.47803 1.00000
O24 O 0.74098 0.76295 0.26648 1.00000
