NaSn3Pt
Alexandria ALEXAlex-ID: agm005809818 · 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
ABC3_1380_spg12
Sn4Pt Na3Sn8 NaSn2Pt
2023-07-04 20:29:46.388642
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809818).
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 agm005809818
data_agm005809818
_cell_length_a 4.44409
_cell_length_b 7.05376
_cell_length_c 8.98517
_cell_angle_alpha 105.25978
_cell_angle_beta 104.31790
_cell_angle_gamma 90.00000
_cell_volume 262.65283
_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
Na1 Na 0.58268 0.31920 0.16536 1.00000
Na2 Na 0.41732 0.68080 0.83464 1.00000
Sn1 Sn 0.05851 0.86597 0.11703 1.00000
Sn2 Sn 0.94149 0.13403 0.88297 1.00000
Sn3 Sn 0.32682 0.03235 0.65364 1.00000
Sn4 Sn 0.67318 0.96765 0.34636 1.00000
Sn5 Sn 0.20028 0.59986 0.40057 1.00000
Sn6 Sn 0.79972 0.40014 0.59943 1.00000
Pt1 Pt 0.79182 0.78246 0.58364 1.00000
Pt2 Pt 0.20818 0.21754 0.41636 1.00000
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