AsAuNF
Alexandria ALEXAlex-ID: agm002103124 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_940_spg160
AsF3 AsN N2 Au
2021-11-11 22:16:57.967967
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002103124).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm002103124
data_agm002103124
_cell_length_a 3.11652
_cell_length_b 3.11652
_cell_length_c 21.13475
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 177.77396
_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
As1 As 0.00000 0.00000 0.22319 1.00000
As2 As 0.33333 0.66667 0.88985 1.00000
As3 As 0.66667 0.33333 0.55652 1.00000
Au1 Au 0.00000 0.00000 0.70317 1.00000
Au2 Au 0.33333 0.66667 0.36983 1.00000
Au3 Au 0.66667 0.33333 0.03650 1.00000
N1 N 0.00000 0.00000 0.60458 1.00000
N2 N 0.33333 0.66667 0.27125 1.00000
N3 N 0.66667 0.33333 0.93791 1.00000
F1 F 0.00000 0.00000 0.80234 1.00000
F2 F 0.33333 0.66667 0.46900 1.00000
F3 F 0.66667 0.33333 0.13567 1.00000
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