Zn3Ag4
Alexandria ALEXAlex-ID: agm079174074 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_105_spg2
ZnAg2 Zn7Ag6
2025-05-18 11:27:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079174074).
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 agm079174074
data_agm079174074
_cell_length_a 4.49778
_cell_length_b 5.26836
_cell_length_c 5.32068
_cell_angle_alpha 95.38853
_cell_angle_beta 90.53237
_cell_angle_gamma 113.36073
_cell_volume 115.08245
_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
Zn1 Zn 0.36067 0.23379 0.41482 1.00000
Zn2 Zn 0.63933 0.76621 0.58518 1.00000
Zn3 Zn 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.91721 0.34480 0.71607 1.00000
Ag2 Ag 0.08279 0.65520 0.28393 1.00000
Ag3 Ag 0.77452 0.05241 0.16678 1.00000
Ag4 Ag 0.22548 0.94759 0.83322 1.00000
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