ScMnAg2F6
Alexandria ALEXAlex-ID: agm004972035 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_608_spg87
MnF2 Ag2F ScF3
2022-07-23 06:56:19.960954
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972035).
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 agm004972035
data_agm004972035
_cell_length_a 5.94293
_cell_length_b 5.94153
_cell_length_c 5.93339
_cell_angle_alpha 89.97224
_cell_angle_beta 120.16782
_cell_angle_gamma 119.94186
_cell_volume 147.93452
_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
Sc1 Sc 0.99656 0.99777 0.98022 1.00000
Mn1 Mn 0.99646 0.49772 0.48011 1.00000
Ag1 Ag 0.49601 0.74712 0.22987 1.00000
Ag2 Ag 0.49751 0.24868 0.73118 1.00000
F1 F 0.51019 0.78823 0.73483 1.00000
F2 F 0.48279 0.20694 0.22577 1.00000
F3 F 0.96240 0.75429 0.22275 1.00000
F4 F 0.02925 0.27308 0.22372 1.00000
F5 F 0.96386 0.72258 0.73649 1.00000
F6 F 0.03055 0.24124 0.73758 1.00000
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