N2F13
Alexandria ALEXAlex-ID: agm003285705 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_98_spg2
N2F13
2022-01-14 16:52:28.306456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003285705).
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 agm003285705
data_agm003285705
_cell_length_a 4.65313
_cell_length_b 5.88658
_cell_length_c 8.58544
_cell_angle_alpha 120.74517
_cell_angle_beta 80.57616
_cell_angle_gamma 102.47940
_cell_volume 196.93838
_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
N1 N 0.76006 0.90778 0.67948 1.00000
N2 N 0.23994 0.09222 0.32052 1.00000
F1 F 0.61867 0.48265 0.03375 1.00000
F2 F 0.38133 0.51735 0.96625 1.00000
F3 F 0.00000 0.00000 0.00000 1.00000
F4 F 0.03242 0.06530 0.72713 1.00000
F5 F 0.96758 0.93470 0.27287 1.00000
F6 F 0.89132 0.68172 0.72540 1.00000
F7 F 0.10868 0.31828 0.27460 1.00000
F8 F 0.73558 0.69728 0.50276 1.00000
F9 F 0.26442 0.30272 0.49724 1.00000
F10 F 0.53079 0.91741 0.80613 1.00000
F11 F 0.46921 0.08259 0.19387 1.00000
F12 F 0.65221 0.10106 0.64178 1.00000
F13 F 0.34779 0.89894 0.35822 1.00000
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