NiAgF3
Alexandria ALEXAlex-ID: agm002147809 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6_spg140
NiAg2F4 NiF2
2018-12-28 15:21:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002147809).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm002147809
data_agm002147809
_cell_length_a 5.62765
_cell_length_b 5.62765
_cell_length_c 5.62744
_cell_angle_alpha 60.31200
_cell_angle_beta 60.31199
_cell_angle_gamma 60.30884
_cell_volume 126.90979
_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 0.99429 0.99426 0.99435 1.00000
Ni2 Ni 0.49426 0.49429 0.49435 1.00000
Ag1 Ag 0.74429 0.74434 0.74421 1.00000
Ag2 Ag 0.24434 0.24429 0.24421 1.00000
F1 F 0.31556 0.17308 0.74433 1.00000
F2 F 0.74411 0.31571 0.17295 1.00000
F3 F 0.17299 0.74439 0.31566 1.00000
F4 F 0.24439 0.67299 0.81566 1.00000
F5 F 0.67308 0.81556 0.24433 1.00000
F6 F 0.81571 0.24411 0.67295 1.00000
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