Ba(NaSn3)2
Alexandria ALEXAlex-ID: agm005606768 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_650_spg65
Ba(NaSn2)2 BaSn5 Na3Sn8
2023-07-08 19:06:59.684721
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606768).
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 agm005606768
data_agm005606768
_cell_length_a 3.45050
_cell_length_b 9.38745
_cell_length_c 9.38747
_cell_angle_alpha 120.00001
_cell_angle_beta 89.99996
_cell_angle_gamma 90.00002
_cell_volume 263.33538
_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
Ba1 Ba 0.00000 0.00000 1.00000 1.00000
Na1 Na 0.00000 0.33333 0.66667 1.00000
Na2 Na 1.00000 0.66667 0.33333 1.00000
Sn1 Sn 0.50000 0.34207 0.34207 1.00000
Sn2 Sn 0.50000 0.65793 0.65793 1.00000
Sn3 Sn 0.50000 1.00000 0.65793 1.00000
Sn4 Sn 0.50000 0.65793 1.00000 1.00000
Sn5 Sn 0.50000 0.34207 1.00000 1.00000
Sn6 Sn 0.50000 1.00000 0.34207 1.00000
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