SmAg2F6
Alexandria ALEXAlex-ID: agm097236702 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1652_spg38
Ag2F3 SmF3
2025-04-06 21:47:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097236702).
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 agm097236702
data_agm097236702
_cell_length_a 4.49105
_cell_length_b 4.48685
_cell_length_c 9.08656
_cell_angle_alpha 83.70262
_cell_angle_beta 78.47001
_cell_angle_gamma 88.85800
_cell_volume 178.32234
_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
Sm1 Sm 0.55419 0.44423 0.75005 1.00000
Ag1 Ag 0.36058 0.75516 0.15586 1.00000
Ag2 Ag 0.75300 0.13414 0.34371 1.00000
F1 F 0.44717 0.40337 0.00476 1.00000
F2 F 0.66358 0.48509 0.49540 1.00000
F3 F 0.55364 0.94418 0.75058 1.00000
F4 F 0.26039 0.09303 0.32406 1.00000
F5 F 0.05417 0.44469 0.75011 1.00000
F6 F 0.85329 0.79610 0.17547 1.00000
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