In2FeF6
Alexandria ALEXAlex-ID: agm097213804 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2784_spg1
FeF2 InF2
2025-04-06 22:01:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097213804).
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 agm097213804
data_agm097213804
_cell_length_a 4.23263
_cell_length_b 4.25200
_cell_length_c 8.46396
_cell_angle_alpha 89.97177
_cell_angle_beta 88.47675
_cell_angle_gamma 90.00415
_cell_volume 152.27329
_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
In1 In 0.67452 0.66697 0.21291 1.00000
In2 In 0.15619 0.16648 0.51725 1.00000
Fe1 Fe 0.65554 0.66629 0.73422 1.00000
F1 F 0.69099 0.66697 0.97029 1.00000
F2 F 0.66379 0.66660 0.46412 1.00000
F3 F 0.65016 0.16638 0.70521 1.00000
F4 F 0.17424 0.66711 0.22056 1.00000
F5 F 0.16162 0.66623 0.70495 1.00000
F6 F 0.67295 0.16697 0.22051 1.00000
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