PmW2F11
Alexandria ALEXAlex-ID: agm018748482 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C11_1_spg72
WF4 PmWF6 WF6
2024-12-17 16:24:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018748482).
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 agm018748482
data_agm018748482
_cell_length_a 8.38585
_cell_length_b 8.38585
_cell_length_c 8.38585
_cell_angle_alpha 124.82422
_cell_angle_beta 106.84311
_cell_angle_gamma 98.00082
_cell_volume 427.08407
_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
Pm1 Pm 0.75000 0.25000 0.50000 1.00000
Pm2 Pm 0.25000 0.75000 0.50000 1.00000
W1 W 0.68047 0.63924 0.31971 1.00000
W2 W 0.31953 0.36076 0.68029 1.00000
W3 W 0.18047 0.86076 0.04122 1.00000
W4 W 0.81953 0.13924 0.95878 1.00000
F1 F 0.70139 0.89405 0.33487 1.00000
F2 F 0.29861 0.10595 0.66513 1.00000
F3 F 0.55917 0.36652 0.66513 1.00000
F4 F 0.94083 0.60595 0.80734 1.00000
F5 F 0.44083 0.63348 0.33487 1.00000
F6 F 0.05917 0.39405 0.19266 1.00000
F7 F 0.79861 0.13348 0.19266 1.00000
F8 F 0.20139 0.86652 0.80734 1.00000
F9 F 0.50000 0.50000 0.00000 1.00000
F10 F 0.00000 0.00000 0.00000 1.00000
F11 F 0.78380 0.86771 0.65150 1.00000
F12 F 0.21620 0.13229 0.34850 1.00000
F13 F 0.28380 0.63229 0.91609 1.00000
F14 F 0.71620 0.36771 0.08391 1.00000
F15 F 0.95181 0.73204 0.40848 1.00000
F16 F 0.04819 0.26796 0.59152 1.00000
F17 F 0.32355 0.54332 0.59152 1.00000
F18 F 0.17645 0.76796 0.21977 1.00000
F19 F 0.67645 0.45668 0.40848 1.00000
F20 F 0.82355 0.23204 0.78023 1.00000
F21 F 0.54819 0.95668 0.78023 1.00000
F22 F 0.45181 0.04332 0.21977 1.00000
