Na2Zn6Au
Alexandria ALEXAlex-ID: agm005753045 · 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
AB2C6_687_spg164
NaZn11 Na(Zn2Au)2 Na2Zn3Au
2023-07-08 19:34:35.550397
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753045).
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 agm005753045
data_agm005753045
_cell_length_a 5.26373
_cell_length_b 5.52057
_cell_length_c 6.52016
_cell_angle_alpha 93.14121
_cell_angle_beta 90.00000
_cell_angle_gamma 118.47258
_cell_volume 166.22736
_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 0.66737 0.33475 0.10180 1.00000
Na2 Na 0.33263 0.66525 0.89820 1.00000
Zn1 Zn 0.82532 0.16211 0.67071 1.00000
Zn2 Zn 0.81942 0.63883 0.64662 1.00000
Zn3 Zn 0.33679 0.16211 0.67071 1.00000
Zn4 Zn 0.17468 0.83789 0.32929 1.00000
Zn5 Zn 0.18058 0.36117 0.35338 1.00000
Zn6 Zn 0.66321 0.83789 0.32929 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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