NiAgF3
Alexandria ALEXAlex-ID: agm002147808 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_20_spg148
NiAg2F4 NiF2
2018-06-05 11:40:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002147808).
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 agm002147808
data_agm002147808
_cell_length_a 5.37376
_cell_length_b 5.37395
_cell_length_c 6.42446
_cell_angle_alpha 65.25785
_cell_angle_beta 65.19589
_cell_angle_gamma 60.00647
_cell_volume 140.61963
_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 0.33737 0.33736 0.98782 1.00000
Ni2 Ni 0.66263 0.66264 0.01218 1.00000
Ag1 Ag 0.14606 0.14549 0.56274 1.00000
Ag2 Ag 0.85394 0.85451 0.43726 1.00000
F1 F 0.94014 0.30471 0.20108 1.00000
F2 F 0.30427 0.55364 0.20128 1.00000
F3 F 0.55342 0.94072 0.20108 1.00000
F4 F 0.05986 0.69529 0.79892 1.00000
F5 F 0.44658 0.05928 0.79892 1.00000
F6 F 0.69573 0.44636 0.79872 1.00000
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