Li2SnO2
Alexandria ALEXAlex-ID: agm005889709 · 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
AB2C2_1962_spg12
Li8SnO6 Li2SnO3 Sn
2023-08-03 21:38:43.003452
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005889709).
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 agm005889709
data_agm005889709
_cell_length_a 3.33834
_cell_length_b 5.94750
_cell_length_c 8.23470
_cell_angle_alpha 101.84896
_cell_angle_beta 90.00122
_cell_angle_gamma 106.29942
_cell_volume 153.29367
_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 0.66244 0.32488 0.51286 1.00000
Li2 Li 0.33755 0.67512 0.48714 1.00000
Li3 Li 0.04251 0.08501 0.69853 1.00000
Li4 Li 0.95748 0.91499 0.30147 1.00000
Sn1 Sn 0.33335 0.66669 0.83582 1.00000
Sn2 Sn 0.66662 0.33331 0.16418 1.00000
O1 O 0.19682 0.39364 0.63555 1.00000
O2 O 0.80317 0.60636 0.36445 1.00000
O3 O 0.53883 0.07767 0.29741 1.00000
O4 O 0.46117 0.92233 0.70259 1.00000
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