In2Pd3Au4
Alexandria ALEXAlex-ID: agm005659854 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_696_spg12
InPd2Au InAu7 In3Au10
2023-06-27 21:36:24.358152
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659854).
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 agm005659854
data_agm005659854
_cell_length_a 3.12646
_cell_length_b 6.66667
_cell_length_c 8.19339
_cell_angle_alpha 98.08155
_cell_angle_beta 100.99897
_cell_angle_gamma 90.00001
_cell_volume 165.91030
_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
In1 In 0.65215 0.06859 0.30429 1.00000
In2 In 0.34785 0.93141 0.69571 1.00000
Pd1 Pd 0.10914 0.38492 0.21828 1.00000
Pd2 Pd 0.89086 0.61508 0.78172 1.00000
Pd3 Pd 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.54749 0.68987 0.09497 1.00000
Au2 Au 0.27861 0.31853 0.55721 1.00000
Au3 Au 0.45251 0.31013 0.90503 1.00000
Au4 Au 0.72139 0.68147 0.44279 1.00000
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