NbSb(PO4)3
Alexandria ALEXAlex-ID: agm021765629 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D12_0_spg161
NbSb3(PO4)6 Nb3Sb(PO4)6
2024-12-28 11:55:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021765629).
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 agm021765629
data_agm021765629
_cell_length_a 9.10281
_cell_length_b 9.10281
_cell_length_c 9.10281
_cell_angle_alpha 57.41418
_cell_angle_beta 57.41418
_cell_angle_gamma 57.41418
_cell_volume 501.61498
_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 0.85820 0.85820 0.85820 1.00000
Nb2 Nb 0.35755 0.35755 0.35755 1.00000
Sb1 Sb 0.64053 0.64053 0.64053 1.00000
Sb2 Sb 0.14377 0.14377 0.14377 1.00000
P1 P 0.23587 0.98004 0.53087 1.00000
P2 P 0.98004 0.53087 0.23587 1.00000
P3 P 0.53087 0.23587 0.98004 1.00000
P4 P 0.45453 0.75994 0.03711 1.00000
P5 P 0.03711 0.45453 0.75994 1.00000
P6 P 0.75994 0.03711 0.45453 1.00000
O1 O 0.77763 0.86071 0.45775 1.00000
O2 O 0.45775 0.77763 0.86071 1.00000
O3 O 0.08752 0.91820 0.72457 1.00000
O4 O 0.86071 0.45775 0.77763 1.00000
O5 O 0.14686 0.03409 0.39573 1.00000
O6 O 0.42298 0.82611 0.50359 1.00000
O7 O 0.91820 0.72457 0.08752 1.00000
O8 O 0.82611 0.50359 0.42298 1.00000
O9 O 0.62337 0.79406 0.00087 1.00000
O10 O 0.50359 0.42298 0.82611 1.00000
O11 O 0.26310 0.89298 0.13018 1.00000
O12 O 0.00087 0.62337 0.79406 1.00000
O13 O 0.03409 0.39573 0.14686 1.00000
O14 O 0.72457 0.08752 0.91820 1.00000
O15 O 0.45932 0.56269 0.19189 1.00000
O16 O 0.39573 0.14686 0.03409 1.00000
O17 O 0.19189 0.45932 0.56269 1.00000
O18 O 0.13018 0.26310 0.89298 1.00000
O19 O 0.56269 0.19189 0.45932 1.00000
O20 O 0.79406 0.00087 0.62337 1.00000
O21 O 0.15600 0.51015 0.24535 1.00000
O22 O 0.89298 0.13018 0.26310 1.00000
O23 O 0.51015 0.24535 0.15600 1.00000
O24 O 0.24535 0.15600 0.51015 1.00000
