Ce2NF3
Alexandria ALEXAlex-ID: agm005753917 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1099_spg12
Ce2NF3
2023-08-24 00:32:41.312831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753917).
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 agm005753917
data_agm005753917
_cell_length_a 4.01772
_cell_length_b 7.16147
_cell_length_c 9.13829
_cell_angle_alpha 49.71715
_cell_angle_beta 77.30102
_cell_angle_gamma 73.70938
_cell_volume 192.26350
_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
Ce1 Ce 0.87887 0.39406 0.84820 1.00000
Ce2 Ce 0.12113 0.60594 0.15180 1.00000
Ce3 Ce 0.60481 0.17891 0.61146 1.00000
Ce4 Ce 0.39519 0.82109 0.38854 1.00000
N1 N 0.43391 0.43881 0.69337 1.00000
N2 N 0.56609 0.56119 0.30663 1.00000
F1 F 0.06714 0.03783 0.82789 1.00000
F2 F 0.93286 0.96217 0.17211 1.00000
F3 F 0.69682 0.69154 0.91482 1.00000
F4 F 0.30318 0.30846 0.08518 1.00000
F5 F 0.81011 0.83846 0.54132 1.00000
F6 F 0.18989 0.16154 0.45868 1.00000
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