Sn3O8
Alexandria ALEXAlex-ID: agm005508513 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B8_55_spg71
SnO6 SnO2
2023-03-15 10:45:19.999042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508513).
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 agm005508513
data_agm005508513
_cell_length_a 5.89017
_cell_length_b 5.89017
_cell_length_c 5.89017
_cell_angle_alpha 110.25057
_cell_angle_beta 108.88348
_cell_angle_gamma 109.28267
_cell_volume 157.28808
_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
Sn1 Sn 0.50000 0.76283 0.26283 1.00000
Sn2 Sn 0.50000 0.23717 0.73717 1.00000
Sn3 Sn 0.00000 0.00000 0.00000 1.00000
O1 O 0.79594 0.01949 0.22355 1.00000
O2 O 0.79594 0.57240 0.77645 1.00000
O3 O 0.20406 0.42760 0.22355 1.00000
O4 O 0.20406 0.98051 0.77645 1.00000
O5 O 0.69246 0.00000 0.69246 1.00000
O6 O 0.67674 0.50000 0.17674 1.00000
O7 O 0.30754 0.00000 0.30754 1.00000
O8 O 0.32326 0.50000 0.82326 1.00000
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