BiNF4
Alexandria ALEXAlex-ID: agm005253403 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_751_spg14
NF3 BiN2F3 BiF3
2023-05-09 22:06:18.588867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005253403).
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 agm005253403
data_agm005253403
_cell_length_a 7.45302
_cell_length_b 6.53115
_cell_length_c 8.50525
_cell_angle_alpha 90.97462
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 413.94787
_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
Bi1 Bi 0.65954 0.25918 0.89173 1.00000
Bi2 Bi 0.15954 0.24082 0.10827 1.00000
Bi3 Bi 0.34046 0.74082 0.10827 1.00000
Bi4 Bi 0.84046 0.75918 0.89173 1.00000
N1 N 0.72087 0.19012 0.39652 1.00000
N2 N 0.22087 0.30988 0.60348 1.00000
N3 N 0.27913 0.80988 0.60348 1.00000
N4 N 0.77913 0.69012 0.39652 1.00000
F1 F 0.68008 0.96380 0.05742 1.00000
F2 F 0.18008 0.53620 0.94258 1.00000
F3 F 0.31992 0.03620 0.94258 1.00000
F4 F 0.81992 0.46380 0.05742 1.00000
F5 F 0.69277 0.96843 0.72863 1.00000
F6 F 0.19277 0.53157 0.27137 1.00000
F7 F 0.30723 0.03157 0.27137 1.00000
F8 F 0.80723 0.46843 0.72863 1.00000
F9 F 0.55742 0.63997 0.89934 1.00000
F10 F 0.05742 0.86003 0.10066 1.00000
F11 F 0.44258 0.36003 0.10066 1.00000
F12 F 0.94258 0.13997 0.89934 1.00000
F13 F 0.59890 0.67212 0.39618 1.00000
F14 F 0.09890 0.82788 0.60382 1.00000
F15 F 0.40110 0.32788 0.60382 1.00000
F16 F 0.90110 0.17212 0.39618 1.00000
