Sn(BiO3)2
Alexandria ALEXAlex-ID: agm097301433 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_4347_spg65
BiO2 BiO4 Sn2Bi2O7
2025-04-07 04:38:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097301433).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097301433
data_agm097301433
_cell_length_a 4.15642
_cell_length_b 4.15647
_cell_length_c 8.54086
_cell_angle_alpha 84.45738
_cell_angle_beta 95.55120
_cell_angle_gamma 90.38615
_cell_volume 146.17311
_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 0.46374 0.46360 0.25001 1.00000
Bi1 Bi 0.88937 0.26290 0.95894 1.00000
Bi2 Bi 0.26276 0.88936 0.54099 1.00000
O1 O 0.41244 0.44883 0.00604 1.00000
O2 O 0.44875 0.41240 0.49397 1.00000
O3 O 0.94853 0.45671 0.19998 1.00000
O4 O 0.93202 0.68567 0.77680 1.00000
O5 O 0.45696 0.94843 0.30007 1.00000
O6 O 0.68543 0.93209 0.72321 1.00000
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