HoMnAg2F6
Alexandria ALEXAlex-ID: agm004972046 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_468_spg2
Ag2F MnF2 HoF3
2022-07-23 03:19:01.188151
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972046).
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 agm004972046
data_agm004972046
_cell_length_a 6.06431
_cell_length_b 6.06045
_cell_length_c 6.07544
_cell_angle_alpha 89.93943
_cell_angle_beta 120.06727
_cell_angle_gamma 119.91909
_cell_volume 158.00322
_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
Ho1 Ho 0.99660 0.99780 0.98034 1.00000
Mn1 Mn 0.99663 0.49784 0.48044 1.00000
Ag1 Ag 0.49590 0.74725 0.23027 1.00000
Ag2 Ag 0.49659 0.24806 0.72947 1.00000
F1 F 0.49316 0.80792 0.72626 1.00000
F2 F 0.50002 0.18743 0.23394 1.00000
F3 F 0.93319 0.74596 0.23161 1.00000
F4 F 0.05689 0.31061 0.23116 1.00000
F5 F 0.93645 0.68494 0.72974 1.00000
F6 F 0.06015 0.24985 0.72929 1.00000
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