Na2Ag2PdF6
Alexandria ALEXAlex-ID: agm004583201 · 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
AB2C2D6_380_spg12
Ag2F Na2PdF4 NaAgF2 Ag2PdF6
2022-06-23 16:13:10.173397
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004583201).
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 agm004583201
data_agm004583201
_cell_length_a 5.65404
_cell_length_b 5.65404
_cell_length_c 6.42623
_cell_angle_alpha 104.92158
_cell_angle_beta 104.92158
_cell_angle_gamma 112.43132
_cell_volume 168.30519
_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 0.34636 0.65364 0.50000 1.00000
Na2 Na 0.65364 0.34636 0.50000 1.00000
Ag1 Ag 0.81585 0.18415 0.00000 1.00000
Ag2 Ag 0.18415 0.81585 0.00000 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
F1 F 0.73987 0.73987 0.77912 1.00000
F2 F 0.08276 0.39457 0.68553 1.00000
F3 F 0.26013 0.26013 0.22088 1.00000
F4 F 0.39457 0.08276 0.68553 1.00000
F5 F 0.91724 0.60543 0.31447 1.00000
F6 F 0.60543 0.91724 0.31447 1.00000
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