WF5
Alexandria ALEXAlex-ID: agm003233271 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_354_spg14
WF4 WF6
2021-12-20 18:09:30.578202
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003233271).
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 agm003233271
data_agm003233271
_cell_length_a 9.72130
_cell_length_b 5.62618
_cell_length_c 7.80773
_cell_angle_alpha 66.86994
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 392.70753
_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 0.75019 0.23717 0.50964 1.00000
W2 W 0.25019 0.76283 0.99036 1.00000
W3 W 0.24981 0.76283 0.49036 1.00000
W4 W 0.74981 0.23717 0.00964 1.00000
F1 F 0.84150 0.55544 0.46115 1.00000
F2 F 0.34150 0.44456 0.03885 1.00000
F3 F 0.15850 0.44456 0.53885 1.00000
F4 F 0.65850 0.55544 0.96115 1.00000
F5 F 0.59714 0.43779 0.38031 1.00000
F6 F 0.09714 0.56221 0.11969 1.00000
F7 F 0.40286 0.56221 0.61969 1.00000
F8 F 0.90286 0.43779 0.88031 1.00000
F9 F 0.40392 0.96324 0.86205 1.00000
F10 F 0.90392 0.03676 0.63795 1.00000
F11 F 0.59608 0.03676 0.13795 1.00000
F12 F 0.09608 0.96324 0.36205 1.00000
F13 F 0.15917 0.08156 0.94102 1.00000
F14 F 0.65917 0.91844 0.55898 1.00000
F15 F 0.84083 0.91844 0.05898 1.00000
F16 F 0.34083 0.08156 0.44102 1.00000
F17 F 0.68157 0.23700 0.75962 1.00000
F18 F 0.18157 0.76300 0.74038 1.00000
F19 F 0.31843 0.76300 0.24038 1.00000
F20 F 0.81843 0.23700 0.25962 1.00000
