NaSmF3
Alexandria ALEXAlex-ID: agm003732151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5651_spg12
NaSmF4 Na Sm
2022-04-15 20:29:32.397321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003732151).
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 agm003732151
data_agm003732151
_cell_length_a 4.21436
_cell_length_b 6.97396
_cell_length_c 7.85831
_cell_angle_alpha 51.74745
_cell_angle_beta 74.44600
_cell_angle_gamma 72.41324
_cell_volume 171.87721
_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
Na1 Na 0.11556 0.59400 0.17487 1.00000
Na2 Na 0.88444 0.40600 0.82513 1.00000
Sm1 Sm 0.39581 0.89525 0.31313 1.00000
Sm2 Sm 0.60419 0.10475 0.68687 1.00000
F1 F 0.89913 0.01988 0.18185 1.00000
F2 F 0.10087 0.98012 0.81815 1.00000
F3 F 0.57967 0.76348 0.07717 1.00000
F4 F 0.42033 0.23652 0.92283 1.00000
F5 F 0.78359 0.82204 0.61078 1.00000
F6 F 0.21641 0.17796 0.38922 1.00000
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