TlAgSn
Alexandria ALEXAlex-ID: agm005643409 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_664_spg65
Ag3Sn Tl Tl17Sn12
2023-06-19 08:40:48.475087
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643409).
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 agm005643409
data_agm005643409
_cell_length_a 3.49475
_cell_length_b 4.85503
_cell_length_c 9.71864
_cell_angle_alpha 108.71604
_cell_angle_beta 90.04108
_cell_angle_gamma 89.99160
_cell_volume 156.17756
_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
Tl1 Tl 0.72974 0.65360 0.31704 1.00000
Tl2 Tl 0.22968 0.04532 0.14400 1.00000
Ag1 Ag 0.72882 0.84682 0.85291 1.00000
Ag2 Ag 0.22841 0.85228 0.60799 1.00000
Sn1 Sn 0.22930 0.37112 0.88070 1.00000
Sn2 Sn 0.72853 0.32825 0.58061 1.00000
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