Y(SeO3)2
Alexandria ALEXAlex-ID: agm017192273 · 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
AB2C6_644_spg14
Y2Se3O10 SeO2
2025-03-03 07:37:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017192273).
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
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# CIF generated by HEAS from Alexandria entry agm017192273
data_agm017192273
_cell_length_a 7.24640
_cell_length_b 5.67881
_cell_length_c 10.10119
_cell_angle_alpha 90.00000
_cell_angle_beta 120.18498
_cell_angle_gamma 90.00000
_cell_volume 359.31008
_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
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.81139 0.51151 0.78150 1.00000
Se2 Se 0.18861 0.01151 0.71850 1.00000
Se3 Se 0.81139 0.98849 0.28150 1.00000
Se4 Se 0.18861 0.48849 0.21850 1.00000
O1 O 0.25880 0.21176 0.29337 1.00000
O2 O 0.64892 0.32562 0.63788 1.00000
O3 O 0.73447 0.49063 0.91510 1.00000
O4 O 0.26553 0.99063 0.58490 1.00000
O5 O 0.35108 0.82562 0.86212 1.00000
O6 O 0.74120 0.71176 0.20663 1.00000
O7 O 0.74120 0.78824 0.70663 1.00000
O8 O 0.35108 0.67438 0.36212 1.00000
O9 O 0.26553 0.50937 0.08490 1.00000
O10 O 0.73447 0.00937 0.41510 1.00000
O11 O 0.64892 0.17438 0.13788 1.00000
O12 O 0.25880 0.28824 0.79337 1.00000
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