La2NF3
Alexandria ALEXAlex-ID: agm005753901 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1099_spg12
La2NF3
2023-08-23 23:54:42.755203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753901).
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 agm005753901
data_agm005753901
_cell_length_a 4.08592
_cell_length_b 7.28054
_cell_length_c 9.30649
_cell_angle_alpha 49.62268
_cell_angle_beta 77.31915
_cell_angle_gamma 73.70365
_cell_volume 202.15752
_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 0.87789 0.39238 0.85184 1.00000
La2 La 0.12211 0.60762 0.14816 1.00000
La3 La 0.60651 0.17383 0.61315 1.00000
La4 La 0.39349 0.82617 0.38685 1.00000
N1 N 0.43492 0.43716 0.69300 1.00000
N2 N 0.56508 0.56284 0.30700 1.00000
F1 F 0.06621 0.04073 0.82685 1.00000
F2 F 0.93379 0.95927 0.17315 1.00000
F3 F 0.69735 0.69244 0.91287 1.00000
F4 F 0.30265 0.30756 0.08713 1.00000
F5 F 0.81329 0.83336 0.54005 1.00000
F6 F 0.18671 0.16664 0.45995 1.00000
Get direct link