LuWO5
Alexandria ALEXAlex-ID: agm005228871 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_62_spg14
Lu2WO6 WO5 WO3
2023-05-12 11:17:59.405510
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228871).
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 agm005228871
data_agm005228871
_cell_length_a 12.55389
_cell_length_b 5.24285
_cell_length_c 6.85363
_cell_angle_alpha 62.61151
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 400.52956
_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
Lu1 Lu 0.55510 0.64224 0.21514 1.00000
Lu2 Lu 0.44490 0.35776 0.78486 1.00000
Lu3 Lu 0.05510 0.35776 0.28486 1.00000
Lu4 Lu 0.94490 0.64224 0.71514 1.00000
W1 W 0.86182 0.88267 0.15558 1.00000
W2 W 0.13818 0.11733 0.84442 1.00000
W3 W 0.36182 0.11733 0.34442 1.00000
W4 W 0.63818 0.88267 0.65558 1.00000
O1 O 0.91613 0.50445 0.44868 1.00000
O2 O 0.08387 0.49555 0.55132 1.00000
O3 O 0.41613 0.49555 0.05132 1.00000
O4 O 0.58387 0.50445 0.94868 1.00000
O5 O 0.42902 0.98796 0.15539 1.00000
O6 O 0.57098 0.01204 0.84461 1.00000
O7 O 0.92902 0.01204 0.34461 1.00000
O8 O 0.07098 0.98796 0.65539 1.00000
O9 O 0.93249 0.67511 0.03454 1.00000
O10 O 0.06751 0.32489 0.96546 1.00000
O11 O 0.43249 0.32489 0.46546 1.00000
O12 O 0.56751 0.67511 0.53454 1.00000
O13 O 0.72348 0.78864 0.21023 1.00000
O14 O 0.27652 0.21136 0.78977 1.00000
O15 O 0.22348 0.21136 0.28977 1.00000
O16 O 0.77652 0.78864 0.71023 1.00000
O17 O 0.14211 0.77438 0.08756 1.00000
O18 O 0.85789 0.22562 0.91244 1.00000
O19 O 0.64211 0.22562 0.41244 1.00000
O20 O 0.35789 0.77438 0.58756 1.00000
