Cs2U2O7
Alexandria ALEXAlex-ID: agm008554126 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_720_spg74
Cs2U2O7
2024-10-01 14:33:49.846000
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008554126).
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 agm008554126
data_agm008554126
_cell_length_a 8.36034
_cell_length_b 8.36034
_cell_length_c 8.36034
_cell_angle_alpha 120.36949
_cell_angle_beta 116.24371
_cell_angle_gamma 92.99422
_cell_volume 422.50400
_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
Cs1 Cs 0.00000 0.50000 0.50000 1.00000
Cs2 Cs 0.50000 0.00000 0.50000 1.00000
Cs3 Cs 0.00000 0.50000 0.00000 1.00000
Cs4 Cs 0.00000 0.00000 0.50000 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
U2 U 0.50000 0.50000 0.00000 1.00000
U3 U 0.50000 0.50000 0.50000 1.00000
U4 U 0.00000 0.00000 0.00000 1.00000
O1 O 0.21437 0.93324 0.90207 1.00000
O2 O 0.23550 0.41943 0.81607 1.00000
O3 O 0.57820 0.25000 0.32820 1.00000
O4 O 0.10335 0.91943 0.18393 1.00000
O5 O 0.46883 0.56676 0.28113 1.00000
O6 O 0.53117 0.81230 0.09793 1.00000
O7 O 0.21437 0.31230 0.28113 1.00000
O8 O 0.78563 0.68770 0.71887 1.00000
O9 O 0.53117 0.43324 0.71887 1.00000
O10 O 0.46883 0.18770 0.90207 1.00000
O11 O 0.89665 0.08057 0.81607 1.00000
O12 O 0.42180 0.75000 0.67180 1.00000
O13 O 0.76450 0.58057 0.18393 1.00000
O14 O 0.78563 0.06676 0.09793 1.00000
