Na3(SnAu2)2
Alexandria ALEXAlex-ID: agm005647481 · 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
A2B3C4_664_spg12
NaSnAu NaAu2
2023-06-27 11:25:01.813325
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647481).
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 agm005647481
data_agm005647481
_cell_length_a 4.59326
_cell_length_b 6.15258
_cell_length_c 9.10469
_cell_angle_alpha 113.72056
_cell_angle_beta 90.00000
_cell_angle_gamma 111.91800
_cell_volume 215.09540
_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 0.63278 0.26557 0.69581 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.36722 0.73443 0.30419 1.00000
Sn1 Sn 0.65682 0.31365 0.31977 1.00000
Sn2 Sn 0.34318 0.68635 0.68023 1.00000
Au1 Au 0.72414 0.44828 0.06833 1.00000
Au2 Au 0.27586 0.55172 0.93167 1.00000
Au3 Au 0.91316 0.82632 0.57065 1.00000
Au4 Au 0.08684 0.17368 0.42935 1.00000
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