Mg(AuF4)3
Alexandria ALEXAlex-ID: agm078228973 · 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
AB3C12_246_spg2
Mg(AuF6)2 Mg(AuF4)2 AuF3
2025-01-09 08:08:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078228973).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm078228973
data_agm078228973
_cell_length_a 7.29897
_cell_length_b 7.29897
_cell_length_c 7.29897
_cell_angle_alpha 111.50723
_cell_angle_beta 111.50723
_cell_angle_gamma 111.50723
_cell_volume 274.46979
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.00000 0.50000 0.00000 1.00000
Au3 Au 0.50000 0.00000 0.00000 1.00000
F1 F 0.33575 0.07896 0.14616 1.00000
F2 F 0.66425 0.92104 0.85384 1.00000
F3 F 0.07896 0.14616 0.33575 1.00000
F4 F 0.92104 0.85384 0.66425 1.00000
F5 F 0.14616 0.33575 0.07896 1.00000
F6 F 0.85384 0.66425 0.92104 1.00000
F7 F 0.81177 0.23770 0.66144 1.00000
F8 F 0.18823 0.76230 0.33856 1.00000
F9 F 0.23770 0.66144 0.81177 1.00000
F10 F 0.76230 0.33856 0.18823 1.00000
F11 F 0.66144 0.81177 0.23770 1.00000
F12 F 0.33856 0.18823 0.76230 1.00000
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