SrTaAg
Alexandria ALEXAlex-ID: agm003147472 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_185_spg129
Ta SrAg
2015-05-04 14:42:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147472).
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 agm003147472
data_agm003147472
_cell_length_a 3.50031
_cell_length_b 3.50038
_cell_length_c 12.79071
_cell_angle_alpha 90.03661
_cell_angle_beta 89.94554
_cell_angle_gamma 89.99832
_cell_volume 156.71689
_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 0.42576 0.16934 0.82438 1.00000
Sr2 Sr 0.92275 0.67137 0.54296 1.00000
Ag1 Ag 0.42321 0.17105 0.36811 1.00000
Ag2 Ag 0.92504 0.66984 0.99924 1.00000
Ta1 Ta 0.92403 0.67055 0.23471 1.00000
Ta2 Ta 0.42445 0.17027 0.13263 1.00000
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