WN2OF5
Alexandria ALEXAlex-ID: agm005258531 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_10_spg63
WOF4 N2O WF6 N2
2023-05-07 15:49:50.482139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258531).
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 agm005258531
data_agm005258531
_cell_length_a 7.93070
_cell_length_b 7.93070
_cell_length_c 7.87365
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 141.98558
_cell_volume 304.98658
_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
W1 W 0.61220 0.38780 0.25000 1.00000
W2 W 0.38780 0.61220 0.75000 1.00000
N1 N 0.96341 0.03659 0.25000 1.00000
N2 N 0.03659 0.96341 0.75000 1.00000
N3 N 0.28474 0.71526 0.25000 1.00000
N4 N 0.71526 0.28474 0.75000 1.00000
O1 O 0.48910 0.51090 0.25000 1.00000
O2 O 0.51090 0.48910 0.75000 1.00000
F1 F 0.74416 0.25584 0.25000 1.00000
F2 F 0.25584 0.74416 0.75000 1.00000
F3 F 0.87532 0.63441 0.07834 1.00000
F4 F 0.12468 0.36559 0.92166 1.00000
F5 F 0.12468 0.36559 0.57834 1.00000
F6 F 0.36559 0.12468 0.42166 1.00000
F7 F 0.87532 0.63441 0.42166 1.00000
F8 F 0.63441 0.87532 0.57834 1.00000
F9 F 0.63441 0.87532 0.92166 1.00000
F10 F 0.36559 0.12468 0.07834 1.00000
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