Ac4N3F2
Alexandria ALEXAlex-ID: agm005641969 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1152_spg15
Ac2NF3 Ac AcN
2023-06-27 20:58:57.493416
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641969).
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 agm005641969
data_agm005641969
_cell_length_a 6.89732
_cell_length_b 8.57721
_cell_length_c 8.57721
_cell_angle_alpha 63.23622
_cell_angle_beta 99.79214
_cell_angle_gamma 99.79213
_cell_volume 443.93773
_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
Ac1 Ac 0.46808 0.21840 0.99095 1.00000
Ac2 Ac 0.03192 0.00905 0.78160 1.00000
Ac3 Ac 0.53192 0.78160 0.00905 1.00000
Ac4 Ac 0.96808 0.99095 0.21840 1.00000
Ac5 Ac 0.95425 0.50129 0.27881 1.00000
Ac6 Ac 0.54575 0.72119 0.49871 1.00000
Ac7 Ac 0.04575 0.49871 0.72119 1.00000
Ac8 Ac 0.45425 0.27881 0.50129 1.00000
N1 N 0.10239 0.19790 0.94420 1.00000
N2 N 0.39761 0.05580 0.80210 1.00000
N3 N 0.89761 0.80210 0.05580 1.00000
N4 N 0.60239 0.94420 0.19790 1.00000
N5 N 0.75000 0.49696 0.50304 1.00000
N6 N 0.25000 0.50304 0.49696 1.00000
F1 F 0.58545 0.39551 0.18843 1.00000
F2 F 0.91455 0.81157 0.60449 1.00000
F3 F 0.41455 0.60449 0.81157 1.00000
F4 F 0.08545 0.18843 0.39551 1.00000
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