Ag8PtF6
Alexandria ALEXAlex-ID: agm072137135 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_58_spg148
Ag2PtF6 Ag2F Pt
2024-10-06 01:28:34.874473
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072137135).
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 agm072137135
data_agm072137135
_cell_length_a 6.27061
_cell_length_b 6.27061
_cell_length_c 6.27061
_cell_angle_alpha 87.68495
_cell_angle_beta 87.68495
_cell_angle_gamma 87.68495
_cell_volume 245.97622
_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
Ag1 Ag 0.25499 0.25499 0.25499 1.00000
Ag2 Ag 0.74501 0.74501 0.74501 1.00000
Ag3 Ag 0.83831 0.12794 0.39071 1.00000
Ag4 Ag 0.39071 0.83831 0.12794 1.00000
Ag5 Ag 0.12794 0.39071 0.83831 1.00000
Ag6 Ag 0.16169 0.87206 0.60929 1.00000
Ag7 Ag 0.60929 0.16169 0.87206 1.00000
Ag8 Ag 0.87206 0.60929 0.16169 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
F1 F 0.18142 0.60592 0.36806 1.00000
F2 F 0.36806 0.18142 0.60592 1.00000
F3 F 0.60592 0.36806 0.18142 1.00000
F4 F 0.81858 0.39408 0.63194 1.00000
F5 F 0.63194 0.81858 0.39408 1.00000
F6 F 0.39408 0.63194 0.81858 1.00000
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