Ag5(S2N)2
Alexandria ALEXAlex-ID: agm005682846 · 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
A2B4C5_986_spg2
Ag2S AgSN2 AgS2
2023-06-22 11:32:38.716595
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682846).
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 agm005682846
data_agm005682846
_cell_length_a 4.96999
_cell_length_b 8.29570
_cell_length_c 10.49501
_cell_angle_alpha 48.36438
_cell_angle_beta 119.83395
_cell_angle_gamma 126.25618
_cell_volume 256.82589
_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
Ag1 Ag 0.38312 0.51566 0.13020 1.00000
Ag2 Ag 0.61688 0.48434 0.86980 1.00000
Ag3 Ag 0.19999 0.03699 0.19511 1.00000
Ag4 Ag 0.50000 0.00000 0.00000 1.00000
Ag5 Ag 0.80001 0.96301 0.80489 1.00000
S1 S 0.63139 0.46168 0.44082 1.00000
S2 S 0.03944 0.34462 0.92682 1.00000
S3 S 0.36861 0.53832 0.55918 1.00000
S4 S 0.96056 0.65538 0.07318 1.00000
N1 N 0.73171 0.25438 0.56464 1.00000
N2 N 0.26829 0.74562 0.43536 1.00000
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