NaV3Sb(PO4)6
Alexandria ALEXAlex-ID: agm010685447 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E24_0_spg146
NaV2(PO4)3 VSb(PO4)3
2024-12-22 21:37:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010685447).
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 agm010685447
data_agm010685447
_cell_length_a 8.90045
_cell_length_b 8.90045
_cell_length_c 8.90045
_cell_angle_alpha 56.68917
_cell_angle_beta 56.68917
_cell_angle_gamma 56.68917
_cell_volume 460.44503
_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 0.99549 0.99549 0.99549 1.00000
V1 V 0.85446 0.85446 0.85446 1.00000
V2 V 0.64663 0.64663 0.64663 1.00000
V3 V 0.35576 0.35576 0.35576 1.00000
Sb1 Sb 0.14549 0.14549 0.14549 1.00000
P1 P 0.25058 0.96470 0.54057 1.00000
P2 P 0.96470 0.54057 0.25058 1.00000
P3 P 0.54057 0.25058 0.96470 1.00000
P4 P 0.46759 0.75328 0.02826 1.00000
P5 P 0.02826 0.46759 0.75328 1.00000
P6 P 0.75328 0.02826 0.46759 1.00000
O1 O 0.76575 0.83577 0.48981 1.00000
O2 O 0.48981 0.76575 0.83577 1.00000
O3 O 0.09998 0.89304 0.73416 1.00000
O4 O 0.83577 0.48981 0.76575 1.00000
O5 O 0.45332 0.80736 0.53887 1.00000
O6 O 0.22597 0.97481 0.37277 1.00000
O7 O 0.89304 0.73416 0.09998 1.00000
O8 O 0.80736 0.53887 0.45332 1.00000
O9 O 0.53887 0.45332 0.80736 1.00000
O10 O 0.61411 0.81897 0.99563 1.00000
O11 O 0.26206 0.90717 0.08816 1.00000
O12 O 0.99563 0.61411 0.81897 1.00000
O13 O 0.97481 0.37277 0.22597 1.00000
O14 O 0.73416 0.09998 0.89304 1.00000
O15 O 0.37277 0.22597 0.97481 1.00000
O16 O 0.47971 0.55607 0.18086 1.00000
O17 O 0.18086 0.47971 0.55607 1.00000
O18 O 0.08816 0.26206 0.90717 1.00000
O19 O 0.81897 0.99563 0.61411 1.00000
O20 O 0.55607 0.18086 0.47971 1.00000
O21 O 0.15568 0.51743 0.23076 1.00000
O22 O 0.90717 0.08816 0.26206 1.00000
O23 O 0.51743 0.23076 0.15568 1.00000
O24 O 0.23076 0.15568 0.51743 1.00000
