NaAuF2
Alexandria ALEXAlex-ID: agm074264679 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9447_spg154
NaAuF4 Au NaF
2025-02-25 08:21:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074264679).
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 agm074264679
data_agm074264679
_cell_length_a 3.35992
_cell_length_b 3.35992
_cell_length_c 19.73916
_cell_angle_alpha 85.35029
_cell_angle_beta 94.64971
_cell_angle_gamma 119.86087
_cell_volume 192.40290
_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
Na1 Na 0.14586 0.85414 0.64433 1.00000
Na2 Na 0.93175 0.06825 0.97764 1.00000
Na3 Na 0.03888 0.96112 0.31095 1.00000
Au1 Au 0.31924 0.68076 0.14429 1.00000
Au2 Au 0.75867 0.24133 0.47765 1.00000
Au3 Au 0.53865 0.46135 0.81100 1.00000
F1 F 0.72501 0.27499 0.37271 1.00000
F2 F 0.79234 0.20766 0.58259 1.00000
F3 F 0.57783 0.42217 0.91590 1.00000
F4 F 0.35284 0.64716 0.24920 1.00000
F5 F 0.49950 0.50050 0.70610 1.00000
F6 F 0.28555 0.71445 0.03938 1.00000
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