Na5Ag6Pd
Alexandria ALEXAlex-ID: agm006136122 · 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
AB5C6_52_spg12
Na2Ag3Pd NaAg2 Na
2023-09-01 13:47:20.278588
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136122).
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 agm006136122
data_agm006136122
_cell_length_a 10.15391
_cell_length_b 5.25801
_cell_length_c 5.26343
_cell_angle_alpha 60.03365
_cell_angle_beta 85.09612
_cell_angle_gamma 80.14633
_cell_volume 239.85382
_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
Na1 Na 0.50000 0.16853 0.66294 1.00000
Na2 Na 1.00000 0.66658 0.66683 1.00000
Na3 Na 0.00000 0.33342 0.33317 1.00000
Na4 Na 0.50000 0.50000 0.00000 1.00000
Na5 Na 0.50000 0.83147 0.33706 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.75643 0.75901 0.00000 1.00000
Ag2 Ag 0.75686 0.08070 0.32170 1.00000
Ag3 Ag 0.24314 0.59760 0.32170 1.00000
Ag4 Ag 0.24314 0.91930 0.67830 1.00000
Ag5 Ag 0.75686 0.40240 0.67830 1.00000
Ag6 Ag 0.24357 0.24099 1.00000 1.00000
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