LaNF5
Alexandria ALEXAlex-ID: agm005758629 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1114_spg74
LaN2F3 NF3 LaF3
2023-07-17 20:55:57.490849
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758629).
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 agm005758629
data_agm005758629
_cell_length_a 6.25253
_cell_length_b 7.33955
_cell_length_c 7.33955
_cell_angle_alpha 108.11037
_cell_angle_beta 114.85226
_cell_angle_gamma 114.85224
_cell_volume 223.49285
_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
La1 La 0.75000 0.35153 0.64847 1.00000
La2 La 0.25000 0.64847 0.35153 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
N2 N 0.50000 0.00000 0.00000 1.00000
F1 F 0.79667 0.50713 0.00416 1.00000
F2 F 0.78718 0.29561 0.29094 1.00000
F3 F 0.29667 0.00416 0.50713 1.00000
F4 F 0.75000 0.07607 0.92393 1.00000
F5 F 0.71282 0.70906 0.70439 1.00000
F6 F 0.28718 0.29094 0.29561 1.00000
F7 F 0.25000 0.92393 0.07607 1.00000
F8 F 0.70333 0.99584 0.49287 1.00000
F9 F 0.21282 0.70439 0.70906 1.00000
F10 F 0.20333 0.49287 0.99584 1.00000
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