SrZnAg11
Alexandria ALEXAlex-ID: agm005698931 · 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
ABC11_5_spg12
Sr(ZnAg3)3 SrAg5 Ag
2023-06-29 15:53:32.647748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698931).
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 agm005698931
data_agm005698931
_cell_length_a 5.49440
_cell_length_b 7.30441
_cell_length_c 7.30781
_cell_angle_alpha 82.58133
_cell_angle_beta 67.91845
_cell_angle_gamma 69.91166
_cell_volume 255.24048
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.29091 0.22674 0.21771 1.00000
Ag2 Ag 0.70909 0.77326 0.78229 1.00000
Ag3 Ag 0.49138 0.77326 0.21771 1.00000
Ag4 Ag 0.50862 0.22674 0.78229 1.00000
Ag5 Ag 0.34140 0.64659 0.64583 1.00000
Ag6 Ag 0.65860 0.35341 0.35417 1.00000
Ag7 Ag 0.01277 0.35341 0.64583 1.00000
Ag8 Ag 0.98723 0.64659 0.35417 1.00000
Ag9 Ag 0.00000 0.50000 0.00000 1.00000
Ag10 Ag 0.50000 0.00000 0.50000 1.00000
Ag11 Ag 0.00000 0.00000 0.50000 1.00000
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