Na(Sr4Ag3)2
Alexandria ALEXAlex-ID: agm077698917 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_136_spg148
Sr3Ag2 SrAg Na
2025-01-09 18:18:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077698917).
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 agm077698917
data_agm077698917
_cell_length_a 8.46106
_cell_length_b 8.46106
_cell_length_c 8.46106
_cell_angle_alpha 71.49557
_cell_angle_beta 71.49557
_cell_angle_gamma 71.49557
_cell_volume 528.66646
_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 0.00000 0.00000 0.00000 1.00000
Sr1 Sr 0.15939 0.38624 0.66667 1.00000
Sr2 Sr 0.84061 0.61376 0.33333 1.00000
Sr3 Sr 0.38624 0.66667 0.15939 1.00000
Sr4 Sr 0.61376 0.33333 0.84061 1.00000
Sr5 Sr 0.66667 0.15939 0.38624 1.00000
Sr6 Sr 0.33333 0.84061 0.61376 1.00000
Sr7 Sr 0.19616 0.19616 0.19616 1.00000
Sr8 Sr 0.80384 0.80384 0.80384 1.00000
Ag1 Ag 0.84864 0.41916 0.04234 1.00000
Ag2 Ag 0.15136 0.58084 0.95766 1.00000
Ag3 Ag 0.41916 0.04234 0.84864 1.00000
Ag4 Ag 0.58084 0.95766 0.15136 1.00000
Ag5 Ag 0.04234 0.84864 0.41916 1.00000
Ag6 Ag 0.95766 0.15136 0.58084 1.00000
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