Nb3Sb(PO4)6
Alexandria ALEXAlex-ID: agm003242551 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
Nb3Sb(PO4)6
2021-12-26 20:14:14.242602
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242551).
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 agm003242551
data_agm003242551
_cell_length_a 9.14077
_cell_length_b 9.14077
_cell_length_c 9.14077
_cell_angle_alpha 58.08941
_cell_angle_beta 58.08941
_cell_angle_gamma 58.08941
_cell_volume 516.39160
_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 0.85808 0.85808 0.85808 1.00000
Nb2 Nb 0.64100 0.64100 0.64100 1.00000
Nb3 Nb 0.35874 0.35874 0.35874 1.00000
Sb1 Sb 0.13955 0.13955 0.13955 1.00000
P1 P 0.53685 0.96453 0.25024 1.00000
P2 P 0.25024 0.53685 0.96453 1.00000
P3 P 0.96453 0.25024 0.53685 1.00000
P4 P 0.03250 0.73123 0.48543 1.00000
P5 P 0.73123 0.48543 0.03250 1.00000
P6 P 0.48543 0.03250 0.73123 1.00000
O1 O 0.53476 0.88452 0.66238 1.00000
O2 O 0.88452 0.66238 0.53476 1.00000
O3 O 0.69715 0.95923 0.06174 1.00000
O4 O 0.66238 0.53476 0.88452 1.00000
O5 O 0.60860 0.78188 0.39810 1.00000
O6 O 0.36464 0.97049 0.25795 1.00000
O7 O 0.06174 0.69715 0.95923 1.00000
O8 O 0.39810 0.60860 0.78188 1.00000
O9 O 0.78188 0.39810 0.60860 1.00000
O10 O 0.00946 0.74599 0.65919 1.00000
O11 O 0.02202 0.90980 0.32603 1.00000
O12 O 0.74599 0.65919 0.00946 1.00000
O13 O 0.25795 0.36464 0.97049 1.00000
O14 O 0.95923 0.06174 0.69715 1.00000
O15 O 0.97049 0.25795 0.36464 1.00000
O16 O 0.21847 0.57407 0.43714 1.00000
O17 O 0.57407 0.43714 0.21847 1.00000
O18 O 0.90980 0.32603 0.02202 1.00000
O19 O 0.65919 0.00946 0.74599 1.00000
O20 O 0.43714 0.21847 0.57407 1.00000
O21 O 0.28300 0.50290 0.13236 1.00000
O22 O 0.32603 0.02202 0.90980 1.00000
O23 O 0.13236 0.28300 0.50290 1.00000
O24 O 0.50290 0.13236 0.28300 1.00000
