Na2V3Si(PO4)6
Alexandria ALEXAlex-ID: agm010986355 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_15_spg146
NaV2(PO4)3 Si5P6O25 NaPO3 SiO2
2025-01-15 13:58:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010986355).
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 agm010986355
data_agm010986355
_cell_length_a 8.69602
_cell_length_b 8.69602
_cell_length_c 8.69602
_cell_angle_alpha 58.20599
_cell_angle_beta 58.20599
_cell_angle_gamma 58.20599
_cell_volume 445.87842
_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 0.00071 0.00071 0.00071 1.00000
Na2 Na 0.50082 0.50082 0.50082 1.00000
V1 V 0.14451 0.14451 0.14451 1.00000
V2 V 0.35541 0.35541 0.35541 1.00000
V3 V 0.64382 0.64382 0.64382 1.00000
Si1 Si 0.85447 0.85447 0.85447 1.00000
P1 P 0.03395 0.74789 0.47408 1.00000
P2 P 0.47408 0.03395 0.74789 1.00000
P3 P 0.74789 0.47408 0.03395 1.00000
P4 P 0.23659 0.54658 0.96297 1.00000
P5 P 0.54658 0.96297 0.23659 1.00000
P6 P 0.96297 0.23659 0.54658 1.00000
O1 O 0.13661 0.26754 0.51969 1.00000
O2 O 0.26754 0.51969 0.13661 1.00000
O3 O 0.06127 0.92088 0.28496 1.00000
O4 O 0.51969 0.13661 0.26754 1.00000
O5 O 0.99759 0.78164 0.64922 1.00000
O6 O 0.21921 0.56986 0.45420 1.00000
O7 O 0.28496 0.06127 0.92088 1.00000
O8 O 0.45420 0.21921 0.56986 1.00000
O9 O 0.21229 0.37011 0.99033 1.00000
O10 O 0.56986 0.45420 0.21921 1.00000
O11 O 0.05500 0.72711 0.94046 1.00000
O12 O 0.37011 0.99033 0.21229 1.00000
O13 O 0.64922 0.99759 0.78164 1.00000
O14 O 0.92088 0.28496 0.06127 1.00000
O15 O 0.41105 0.57475 0.77648 1.00000
O16 O 0.78164 0.64922 0.99759 1.00000
O17 O 0.57475 0.77648 0.41105 1.00000
O18 O 0.72711 0.94046 0.05500 1.00000
O19 O 0.77648 0.41105 0.57475 1.00000
O20 O 0.99033 0.21229 0.37011 1.00000
O21 O 0.49314 0.86842 0.71188 1.00000
O22 O 0.94046 0.05500 0.72711 1.00000
O23 O 0.71188 0.49314 0.86842 1.00000
O24 O 0.86842 0.71188 0.49314 1.00000
