NiAg2BiF6
Alexandria ALEXAlex-ID: agm004972022 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_865_spg2
Ag2F NiF2 BiF3
2022-07-23 06:27:43.970665
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972022).
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 agm004972022
data_agm004972022
_cell_length_a 6.75847
_cell_length_b 7.20638
_cell_length_c 5.96478
_cell_angle_alpha 74.73534
_cell_angle_beta 130.17162
_cell_angle_gamma 134.61410
_cell_volume 148.08929
_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
Ni1 Ni 0.99656 0.49770 0.48024 1.00000
Ag1 Ag 0.61118 0.80641 0.29870 1.00000
Ag2 Ag 0.38199 0.18914 0.66183 1.00000
Bi1 Bi 0.99657 0.99782 0.98029 1.00000
F1 F 0.47571 0.88947 0.79666 1.00000
F2 F 0.51728 0.10597 0.16374 1.00000
F3 F 0.93172 0.63359 0.11862 1.00000
F4 F 0.36520 0.53842 0.55912 1.00000
F5 F 0.62802 0.45715 0.40141 1.00000
F6 F 0.06136 0.36199 0.84191 1.00000
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