MgW2O5
Alexandria ALEXAlex-ID: agm005285948 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_262_spg1
Mg3WO6 WO2 W
2023-05-07 10:01:44.786007
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285948).
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 agm005285948
data_agm005285948
_cell_length_a 3.18493
_cell_length_b 5.30490
_cell_length_c 12.35487
_cell_angle_alpha 84.12489
_cell_angle_beta 88.89591
_cell_angle_gamma 90.04551
_cell_volume 207.60889
_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
Mg1 Mg 0.23832 0.11971 0.22329 1.00000
Mg2 Mg 0.76589 0.88414 0.77727 1.00000
W1 W 0.74376 0.62070 0.10399 1.00000
W2 W 0.26001 0.38316 0.89649 1.00000
W3 W 0.24712 0.41780 0.61119 1.00000
W4 W 0.75640 0.58610 0.38930 1.00000
O1 O 0.26429 0.61775 0.75461 1.00000
O2 O 0.73950 0.38608 0.24587 1.00000
O3 O 0.24769 0.35508 0.06410 1.00000
O4 O 0.75604 0.64903 0.93644 1.00000
O5 O 0.26046 0.34763 0.44979 1.00000
O6 O 0.74308 0.65629 0.55068 1.00000
O7 O 0.23144 0.81446 0.33547 1.00000
O8 O 0.77209 0.18943 0.66504 1.00000
O9 O 0.26259 0.06437 0.85526 1.00000
O10 O 0.74126 0.93941 0.14528 1.00000
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