Ag(SnSb3)2
Alexandria ALEXAlex-ID: agm097969853 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_6263_spg1
Sn4Sb3 Ag3Sn Sb
2025-04-06 16:59:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097969853).
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 agm097969853
data_agm097969853
_cell_length_a 5.96404
_cell_length_b 5.56484
_cell_length_c 8.59314
_cell_angle_alpha 86.26724
_cell_angle_beta 82.89990
_cell_angle_gamma 89.99004
_cell_volume 282.40060
_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 0.44153 0.59871 0.22864 1.00000
Sn1 Sn 0.98305 0.08188 0.98673 1.00000
Sn2 Sn 0.99489 0.96380 0.46449 1.00000
Sb1 Sb 0.48328 0.27244 0.97069 1.00000
Sb2 Sb 0.64129 0.30668 0.54904 1.00000
Sb3 Sb 0.94514 0.64799 0.21735 1.00000
Sb4 Sb 0.04661 0.69935 0.75965 1.00000
Sb5 Sb 0.43517 0.07407 0.30745 1.00000
Sb6 Sb 0.52904 0.85507 0.76596 1.00000
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