KU(SeO4)2
Alexandria ALEXAlex-ID: agm005233363 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_2263_spg14
K2Se2O5 USe2O7 K2U3(SeO7)2 K2U(SeO5)2
2024-10-09 23:09:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233363).
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 agm005233363
data_agm005233363
_cell_length_a 9.78120
_cell_length_b 9.50502
_cell_length_c 13.41818
_cell_angle_alpha 46.37054
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 902.95931
_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
K1 K 0.56643 0.28876 0.41892 1.00000
K2 K 0.93357 0.28876 0.91892 1.00000
K3 K 0.43357 0.71124 0.58108 1.00000
K4 K 0.06643 0.71124 0.08108 1.00000
U1 U 0.77885 0.79126 0.31426 1.00000
U2 U 0.72115 0.79126 0.81426 1.00000
U3 U 0.22115 0.20874 0.68574 1.00000
U4 U 0.27885 0.20874 0.18574 1.00000
Se1 Se 0.93089 0.16640 0.31476 1.00000
Se2 Se 0.56911 0.16640 0.81476 1.00000
Se3 Se 0.06911 0.83360 0.68524 1.00000
Se4 Se 0.43089 0.83360 0.18524 1.00000
Se5 Se 0.12758 0.72837 0.40078 1.00000
Se6 Se 0.37242 0.72837 0.90078 1.00000
Se7 Se 0.87242 0.27163 0.59922 1.00000
Se8 Se 0.62758 0.27163 0.09922 1.00000
O1 O 0.80623 0.30820 0.28931 1.00000
O2 O 0.69377 0.30820 0.78931 1.00000
O3 O 0.19377 0.69180 0.71069 1.00000
O4 O 0.30623 0.69180 0.21069 1.00000
O5 O 0.88356 0.09147 0.23440 1.00000
O6 O 0.61644 0.09147 0.73440 1.00000
O7 O 0.11644 0.90853 0.76560 1.00000
O8 O 0.38356 0.90853 0.26560 1.00000
O9 O 0.96075 0.68999 0.46022 1.00000
O10 O 0.53925 0.68999 0.96022 1.00000
O11 O 0.03925 0.31001 0.53978 1.00000
O12 O 0.46075 0.31001 0.03978 1.00000
O13 O 0.16978 0.92209 0.38308 1.00000
O14 O 0.33022 0.92209 0.88308 1.00000
O15 O 0.83022 0.07791 0.61692 1.00000
O16 O 0.66978 0.07791 0.11692 1.00000
O17 O 0.78111 0.45632 0.45330 1.00000
O18 O 0.71889 0.45632 0.95330 1.00000
O19 O 0.21889 0.54368 0.54670 1.00000
O20 O 0.28111 0.54368 0.04670 1.00000
O21 O 0.57384 0.69244 0.26864 1.00000
O22 O 0.92616 0.69244 0.76864 1.00000
O23 O 0.42616 0.30756 0.73136 1.00000
O24 O 0.07384 0.30756 0.23136 1.00000
O25 O 0.89439 0.82188 0.19256 1.00000
O26 O 0.60561 0.82188 0.69256 1.00000
O27 O 0.10561 0.17812 0.80744 1.00000
O28 O 0.39439 0.17812 0.30744 1.00000
O29 O 0.67165 0.78054 0.43049 1.00000
O30 O 0.82835 0.78054 0.93049 1.00000
O31 O 0.32835 0.21946 0.56951 1.00000
O32 O 0.17165 0.21946 0.06951 1.00000
