NaWO4
Alexandria ALEXAlex-ID: agm005252538 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_765_spg2
Na2W2O7 Na2W4O13 NaO4
2023-05-10 00:40:46.481584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005252538).
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 agm005252538
data_agm005252538
_cell_length_a 6.23773
_cell_length_b 7.17490
_cell_length_c 8.83721
_cell_angle_alpha 110.53658
_cell_angle_beta 97.14986
_cell_angle_gamma 101.86656
_cell_volume 354.02033
_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
Na1 Na 0.23040 0.27722 0.69922 1.00000
Na2 Na 0.76960 0.72278 0.30078 1.00000
Na3 Na 0.74856 0.45431 0.58522 1.00000
Na4 Na 0.25144 0.54569 0.41478 1.00000
W1 W 0.72113 0.00106 0.73667 1.00000
W2 W 0.27887 0.99894 0.26333 1.00000
W3 W 0.74028 0.14743 0.14895 1.00000
W4 W 0.25972 0.85257 0.85105 1.00000
O1 O 0.82939 0.18093 0.64900 1.00000
O2 O 0.17061 0.81907 0.35100 1.00000
O3 O 0.58845 0.86048 0.90901 1.00000
O4 O 0.41155 0.13952 0.09099 1.00000
O5 O 0.41835 0.03083 0.73996 1.00000
O6 O 0.58165 0.96917 0.26004 1.00000
O7 O 0.17039 0.60622 0.68130 1.00000
O8 O 0.82961 0.39378 0.31870 1.00000
O9 O 0.01304 0.95756 0.81410 1.00000
O10 O 0.98696 0.04244 0.18590 1.00000
O11 O 0.81114 0.23058 0.98037 1.00000
O12 O 0.18886 0.76942 0.01963 1.00000
O13 O 0.64411 0.75432 0.56164 1.00000
O14 O 0.35589 0.24568 0.43836 1.00000
O15 O 0.58011 0.53690 0.82390 1.00000
O16 O 0.41989 0.46310 0.17610 1.00000
