NaP3(WO6)2
Alexandria ALEXAlex-ID: agm032146832 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_1_spg2
NaP3(WO6)2
2025-01-02 23:08:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032146832).
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 agm032146832
data_agm032146832
_cell_length_a 8.72829
_cell_length_b 8.82704
_cell_length_c 9.13291
_cell_angle_alpha 89.42641
_cell_angle_beta 117.83375
_cell_angle_gamma 120.08985
_cell_volume 514.77963
_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 0.35022 0.82255 0.55507 1.00000
Na2 Na 0.64978 0.17745 0.44493 1.00000
P1 P 0.00727 0.47001 0.75474 1.00000
P2 P 0.28400 0.25083 0.24740 1.00000
P3 P 0.71329 0.96640 0.25124 1.00000
P4 P 0.28671 0.03360 0.74876 1.00000
P5 P 0.99273 0.52999 0.24526 1.00000
P6 P 0.71600 0.74917 0.75260 1.00000
W1 W 0.79736 0.14599 0.93450 1.00000
W2 W 0.79535 0.65015 0.43980 1.00000
W3 W 0.20465 0.34985 0.56020 1.00000
W4 W 0.20264 0.85401 0.06550 1.00000
O1 O 0.32533 0.10054 0.23846 1.00000
O2 O 0.84622 0.48652 0.59311 1.00000
O3 O 0.12518 0.61900 0.91929 1.00000
O4 O 0.86654 0.27578 0.76384 1.00000
O5 O 0.67467 0.89946 0.76154 1.00000
O6 O 0.15378 0.51348 0.40689 1.00000
O7 O 0.87482 0.38100 0.08071 1.00000
O8 O 0.13346 0.72422 0.23616 1.00000
O9 O 0.49769 0.08308 0.77485 1.00000
O10 O 0.90861 0.79366 0.92834 1.00000
O11 O 0.83768 0.52984 0.28338 1.00000
O12 O 0.12190 0.85719 0.59311 1.00000
O13 O 0.52647 0.56018 0.71114 1.00000
O14 O 0.23256 0.23834 0.39009 1.00000
O15 O 0.28665 0.00468 0.91501 1.00000
O16 O 0.25766 0.18973 0.71045 1.00000
O17 O 0.74234 0.81027 0.28955 1.00000
O18 O 0.71335 0.99532 0.08499 1.00000
O19 O 0.76744 0.76166 0.60991 1.00000
O20 O 0.47353 0.43982 0.28886 1.00000
O21 O 0.87810 0.14281 0.40689 1.00000
O22 O 0.16232 0.47016 0.71662 1.00000
O23 O 0.09139 0.20634 0.07166 1.00000
O24 O 0.50231 0.91692 0.22515 1.00000
