WOF4
Alexandria ALEXAlex-ID: agm005239114 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_229_spg2
WOF4
2024-10-09 09:53:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239114).
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
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# CIF generated by HEAS from Alexandria entry agm005239114
data_agm005239114
_cell_length_a 5.24966
_cell_length_b 6.12752
_cell_length_c 6.92454
_cell_angle_alpha 101.59181
_cell_angle_beta 97.91634
_cell_angle_gamma 106.77909
_cell_volume 204.31112
_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 0.90523 0.78576 0.75994 1.00000
W2 W 0.09477 0.21424 0.24006 1.00000
O1 O 0.00577 0.24235 0.47052 1.00000
O2 O 0.99423 0.75765 0.52948 1.00000
F1 F 0.84420 0.32570 0.10099 1.00000
F2 F 0.84344 0.89381 0.09662 1.00000
F3 F 0.62917 0.49881 0.72620 1.00000
F4 F 0.36203 0.06730 0.27654 1.00000
F5 F 0.63797 0.93270 0.72346 1.00000
F6 F 0.37083 0.50119 0.27380 1.00000
F7 F 0.15656 0.10619 0.90338 1.00000
F8 F 0.15580 0.67430 0.89901 1.00000
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