K2W2O5
Alexandria ALEXAlex-ID: agm005283969 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_952_spg1
K2W2O7 K2WO4 W
2023-05-08 00:35:04.926223
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283969).
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 agm005283969
data_agm005283969
_cell_length_a 5.75131
_cell_length_b 5.85825
_cell_length_c 9.77600
_cell_angle_alpha 96.86222
_cell_angle_beta 107.21434
_cell_angle_gamma 90.28358
_cell_volume 312.08837
_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
K1 K 0.39783 0.99186 0.79766 1.00000
K2 K 0.59939 0.09286 0.19958 1.00000
K3 K 0.88495 0.51325 0.77976 1.00000
K4 K 0.11071 0.57539 0.22029 1.00000
W1 W 0.99614 0.04285 0.99547 1.00000
W2 W 0.49904 0.54398 0.00177 1.00000
W3 W 0.21988 0.07712 0.43437 1.00000
W4 W 0.78544 0.01908 0.56228 1.00000
O1 O 0.73718 0.77921 0.00228 1.00000
O2 O 0.24838 0.79492 0.00617 1.00000
O3 O 0.75167 0.29377 0.00032 1.00000
O4 O 0.25967 0.30807 0.99785 1.00000
O5 O 0.94901 0.25538 0.49001 1.00000
O6 O 0.07504 0.84089 0.50863 1.00000
O7 O 0.89066 0.99065 0.77281 1.00000
O8 O 0.10950 0.09587 0.23324 1.00000
O9 O 0.48499 0.23030 0.58495 1.00000
O10 O 0.50054 0.86775 0.41257 1.00000
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