Sn8Pd2Au3
Alexandria ALEXAlex-ID: agm005616366 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_578_spg10
Sn8PdAu3 Sn2Pd SnAu
2023-06-16 05:30:13.802928
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005616366).
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 agm005616366
data_agm005616366
_cell_length_a 4.11972
_cell_length_b 8.84344
_cell_length_c 8.89111
_cell_angle_alpha 100.69332
_cell_angle_beta 89.99770
_cell_angle_gamma 90.00174
_cell_volume 318.30045
_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
Sn1 Sn 0.99998 0.33128 0.44967 1.00000
Sn2 Sn 0.00002 0.66872 0.55033 1.00000
Sn3 Sn 0.99999 0.77385 0.95702 1.00000
Sn4 Sn 0.00001 0.22615 0.04298 1.00000
Sn5 Sn 0.50000 0.46643 0.82449 1.00000
Sn6 Sn 0.50001 0.96633 0.32685 1.00000
Sn7 Sn 0.49999 0.03367 0.67315 1.00000
Sn8 Sn 0.50000 0.53357 0.17551 1.00000
Pd1 Pd 0.50000 0.74795 0.74590 1.00000
Pd2 Pd 0.50000 0.25205 0.25410 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
Au2 Au 0.00000 0.74864 0.26290 1.00000
Au3 Au 1.00000 0.25136 0.73710 1.00000
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