LiY2ReO6
Alexandria ALEXAlex-ID: agm002219635 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_17_spg2
Li5ReO6 Y5(ReO6)2
2018-11-22 16:01:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002219635).
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 agm002219635
data_agm002219635
_cell_length_a 5.60985
_cell_length_b 5.62210
_cell_length_c 5.61403
_cell_angle_alpha 58.37252
_cell_angle_beta 93.03089
_cell_angle_gamma 121.86019
_cell_volume 121.75642
_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 0.78704 0.53777 0.74900 1.00000
Y2 Y 0.21296 0.46223 0.25100 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
O1 O 0.17232 0.99882 0.32118 1.00000
O2 O 0.35506 0.13128 0.77425 1.00000
O3 O 0.64494 0.86872 0.22575 1.00000
O4 O 0.82768 0.00118 0.67882 1.00000
O5 O 0.17105 0.49227 0.82691 1.00000
O6 O 0.82895 0.50773 0.17309 1.00000
Li1 Li 0.50000 0.00000 0.50000 1.00000
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