SnNF3
Alexandria ALEXAlex-ID: agm005283826 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7180_spg2
SnF3 N2
2023-04-21 08:32:04.065066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283826).
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 agm005283826
data_agm005283826
_cell_length_a 3.47461
_cell_length_b 6.67449
_cell_length_c 6.62996
_cell_angle_alpha 93.85927
_cell_angle_beta 105.20552
_cell_angle_gamma 94.92430
_cell_volume 147.17981
_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
Sn1 Sn 0.62646 0.94609 0.77100 1.00000
Sn2 Sn 0.37354 0.05391 0.22900 1.00000
N1 N 0.78547 0.87583 0.11149 1.00000
N2 N 0.21453 0.12417 0.88851 1.00000
F1 F 0.90925 0.25099 0.23548 1.00000
F2 F 0.54650 0.18183 0.53380 1.00000
F3 F 0.23311 0.33222 0.86003 1.00000
F4 F 0.09075 0.74901 0.76452 1.00000
F5 F 0.45350 0.81817 0.46620 1.00000
F6 F 0.76689 0.66778 0.13997 1.00000
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