NbP6(WO8)3
Alexandria ALEXAlex-ID: agm003242174 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
P3(WO6)2 P2WO7 NbPO5
2021-12-26 20:00:13.620436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242174).
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 agm003242174
data_agm003242174
_cell_length_a 9.02358
_cell_length_b 9.02358
_cell_length_c 9.02358
_cell_angle_alpha 58.55319
_cell_angle_beta 58.55319
_cell_angle_gamma 58.55319
_cell_volume 502.35350
_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
Nb1 Nb 0.14219 0.14219 0.14219 1.00000
P1 P 0.53130 0.96320 0.25706 1.00000
P2 P 0.25706 0.53130 0.96320 1.00000
P3 P 0.96320 0.25706 0.53130 1.00000
P4 P 0.03648 0.74753 0.46498 1.00000
P5 P 0.74753 0.46498 0.03648 1.00000
P6 P 0.46498 0.03648 0.74753 1.00000
W1 W 0.85779 0.85779 0.85779 1.00000
W2 W 0.64246 0.64246 0.64246 1.00000
W3 W 0.35658 0.35658 0.35658 1.00000
O1 O 0.49049 0.86970 0.71477 1.00000
O2 O 0.86970 0.71477 0.49049 1.00000
O3 O 0.69588 0.95924 0.08301 1.00000
O4 O 0.71477 0.49049 0.86970 1.00000
O5 O 0.56426 0.78132 0.42311 1.00000
O6 O 0.35342 0.99515 0.23943 1.00000
O7 O 0.08301 0.69588 0.95924 1.00000
O8 O 0.42311 0.56426 0.78132 1.00000
O9 O 0.78132 0.42311 0.56426 1.00000
O10 O 0.02196 0.75088 0.63674 1.00000
O11 O 0.04868 0.93128 0.29818 1.00000
O12 O 0.75088 0.63674 0.02196 1.00000
O13 O 0.23943 0.35342 0.99515 1.00000
O14 O 0.95924 0.08301 0.69588 1.00000
O15 O 0.99515 0.23943 0.35342 1.00000
O16 O 0.21860 0.59259 0.40653 1.00000
O17 O 0.59259 0.40653 0.21860 1.00000
O18 O 0.93128 0.29818 0.04868 1.00000
O19 O 0.63674 0.02196 0.75088 1.00000
O20 O 0.40653 0.21860 0.59259 1.00000
O21 O 0.31246 0.49309 0.11965 1.00000
O22 O 0.29818 0.04868 0.93128 1.00000
O23 O 0.11965 0.31246 0.49309 1.00000
O24 O 0.49309 0.11965 0.31246 1.00000
