RbWF5
Alexandria ALEXAlex-ID: agm089840583 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_236_spg19
RbWF5
2025-03-23 23:44:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm089840583).
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 agm089840583
data_agm089840583
_cell_length_a 5.37787
_cell_length_b 6.66609
_cell_length_c 14.63093
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 524.50951
_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
Rb1 Rb 0.92281 0.69345 0.84159 1.00000
Rb2 Rb 0.57719 0.30655 0.34159 1.00000
Rb3 Rb 0.07719 0.19345 0.65841 1.00000
Rb4 Rb 0.42281 0.80655 0.15841 1.00000
W1 W 0.53194 0.66375 0.59300 1.00000
W2 W 0.96806 0.33625 0.09300 1.00000
W3 W 0.46806 0.16375 0.90700 1.00000
W4 W 0.03194 0.83625 0.40700 1.00000
F1 F 0.23087 0.66870 0.66784 1.00000
F2 F 0.26913 0.33130 0.16784 1.00000
F3 F 0.76913 0.16870 0.83216 1.00000
F4 F 0.73087 0.83130 0.33216 1.00000
F5 F 0.83827 0.65379 0.50550 1.00000
F6 F 0.66173 0.34621 0.00550 1.00000
F7 F 0.16173 0.15379 0.99450 1.00000
F8 F 0.33827 0.84621 0.49450 1.00000
F9 F 0.82580 0.09148 0.14799 1.00000
F10 F 0.67420 0.90852 0.64799 1.00000
F11 F 0.17420 0.59148 0.35201 1.00000
F12 F 0.32580 0.40852 0.85201 1.00000
F13 F 0.71822 0.49380 0.68418 1.00000
F14 F 0.78178 0.50620 0.18418 1.00000
F15 F 0.28178 0.99380 0.81582 1.00000
F16 F 0.21822 0.00620 0.31582 1.00000
F17 F 0.58025 0.91830 0.97182 1.00000
F18 F 0.91975 0.08170 0.47182 1.00000
F19 F 0.41975 0.41830 0.52818 1.00000
F20 F 0.08025 0.58170 0.02818 1.00000
