Sr3(ZnAg)4
Alexandria ALEXAlex-ID: agm005695633 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_0_spg71
Sr4Zn3Ag5 SrAg2 SrZn10Ag
2023-06-29 23:51:02.594337
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695633).
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 agm005695633
data_agm005695633
_cell_length_a 4.62217
_cell_length_b 4.30644
_cell_length_c 13.99689
_cell_angle_alpha 98.84926
_cell_angle_beta 99.50387
_cell_angle_gamma 89.99999
_cell_volume 271.42204
_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 0.35266 0.85266 0.70532 1.00000
Sr2 Sr 0.64734 0.14734 0.29468 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.80504 0.30504 0.61008 1.00000
Zn2 Zn 0.45223 0.45223 0.90446 1.00000
Zn3 Zn 0.54777 0.54777 0.09554 1.00000
Zn4 Zn 0.19496 0.69496 0.38992 1.00000
Ag1 Ag 0.25239 0.25239 0.50477 1.00000
Ag2 Ag 0.09752 0.59752 0.19503 1.00000
Ag3 Ag 0.90248 0.40248 0.80497 1.00000
Ag4 Ag 0.74761 0.74761 0.49523 1.00000
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