Al2Fe3F15
Alexandria ALEXAlex-ID: agm005264883 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C15_6_spg12
AlFeF6 FeF3
2023-05-08 02:02:12.366901
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005264883).
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 agm005264883
data_agm005264883
_cell_length_a 5.22630
_cell_length_b 5.22630
_cell_length_c 10.83452
_cell_angle_alpha 78.94445
_cell_angle_beta 78.94445
_cell_angle_gamma 72.56618
_cell_volume 274.23686
_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
Al1 Al 0.35758 0.35758 0.15295 1.00000
Al2 Al 0.64242 0.64242 0.84705 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.62389 0.62389 0.37393 1.00000
Fe3 Fe 0.37611 0.37611 0.62607 1.00000
F1 F 0.08601 0.67518 0.13245 1.00000
F2 F 0.69881 0.30119 0.50000 1.00000
F3 F 0.32482 0.91399 0.86755 1.00000
F4 F 0.67518 0.08601 0.13245 1.00000
F5 F 0.30119 0.69881 0.50000 1.00000
F6 F 0.91399 0.32482 0.86755 1.00000
F7 F 0.54725 0.54725 0.22627 1.00000
F8 F 0.16883 0.16883 0.62083 1.00000
F9 F 0.81538 0.81538 0.92334 1.00000
F10 F 0.18462 0.18462 0.07666 1.00000
F11 F 0.83117 0.83117 0.37917 1.00000
F12 F 0.45275 0.45275 0.77373 1.00000
F13 F 0.50000 0.50000 0.00000 1.00000
F14 F 0.23462 0.23462 0.30442 1.00000
F15 F 0.76538 0.76538 0.69558 1.00000
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