Li4SiO5
Alexandria ALEXAlex-ID: agm003658879 · 空间群: I4 (#79)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_3_spg79
Li2SiO3 Li4SiO4 LiO8
2022-04-06 18:52:40.597038
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658879).
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 agm003658879
data_agm003658879
_cell_length_a 4.86153
_cell_length_b 4.97054
_cell_length_c 4.97054
_cell_angle_alpha 76.16336
_cell_angle_beta 60.72287
_cell_angle_gamma 60.72287
_cell_volume 91.38540
_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
Li1 Li 0.49204 0.35162 0.76230 1.00000
Li2 Li 0.84366 0.76230 0.64838 1.00000
Li3 Li 0.25434 0.23770 0.35162 1.00000
Li4 Li 0.60596 0.64838 0.23770 1.00000
Si1 Si 0.06024 1.00000 1.00000 1.00000
O1 O 0.89418 0.32917 0.80719 1.00000
O2 O 0.22336 0.80719 0.67083 1.00000
O3 O 0.70137 0.19281 0.32917 1.00000
O4 O 0.03054 0.67083 0.19281 1.00000
O5 O 0.40461 0.00000 0.00000 1.00000
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