WN2(OF2)2
Alexandria ALEXAlex-ID: agm005525871 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_460_spg4
WOF4 N2O
2023-08-19 18:51:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005525871).
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 agm005525871
data_agm005525871
_cell_length_a 8.02353
_cell_length_b 5.64583
_cell_length_c 8.50990
_cell_angle_alpha 68.10719
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 357.69327
_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
F1 F 0.11091 0.34000 0.41329 1.00000
F2 F 0.61091 0.66000 0.58671 1.00000
F3 F 0.89848 0.93538 0.79658 1.00000
F4 F 0.42785 0.37570 0.36018 1.00000
F5 F 0.57712 0.90565 0.78687 1.00000
F6 F 0.92785 0.62430 0.63982 1.00000
F7 F 0.07712 0.09435 0.21313 1.00000
F8 F 0.39848 0.06462 0.20342 1.00000
W1 W 0.24960 0.30153 0.24152 1.00000
W2 W 0.74960 0.69847 0.75848 1.00000
O1 O 0.29568 0.52060 0.01314 1.00000
O2 O 0.79568 0.47940 0.98686 1.00000
O3 O 0.17520 0.63454 0.10081 1.00000
O4 O 0.67520 0.36546 0.89919 1.00000
N1 N 0.76697 0.13846 0.47230 1.00000
N2 N 0.26697 0.86154 0.52770 1.00000
N3 N 0.24818 0.20503 0.80158 1.00000
N4 N 0.74818 0.79497 0.19842 1.00000
Get direct link