V3Fe2Sb(PO4)6
Alexandria ALEXAlex-ID: agm003243732 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
Fe3(P2O7)2 SbPO4 VSbO4 VPO4
2021-12-28 12:38:36.786157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243732).
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 agm003243732
data_agm003243732
_cell_length_a 8.61680
_cell_length_b 8.61680
_cell_length_c 8.61680
_cell_angle_alpha 60.65269
_cell_angle_beta 60.65269
_cell_angle_gamma 60.65269
_cell_volume 459.06733
_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
V1 V 0.35770 0.35770 0.35770 1.00000
V2 V 0.14259 0.14259 0.14259 1.00000
V3 V 0.64089 0.64089 0.64089 1.00000
Fe1 Fe 0.00477 0.00477 0.00477 1.00000
Fe2 Fe 0.49966 0.49966 0.49966 1.00000
Sb1 Sb 0.85704 0.85704 0.85704 1.00000
P1 P 0.74614 0.04406 0.45555 1.00000
P2 P 0.04406 0.45555 0.74614 1.00000
P3 P 0.45555 0.74614 0.04406 1.00000
P4 P 0.53981 0.25160 0.95620 1.00000
P5 P 0.95620 0.53981 0.25160 1.00000
P6 P 0.25160 0.95620 0.53981 1.00000
O1 O 0.88754 0.50278 0.68115 1.00000
O2 O 0.50278 0.68115 0.88754 1.00000
O3 O 0.68115 0.88754 0.50278 1.00000
O4 O 0.90941 0.05650 0.26386 1.00000
O5 O 0.81560 0.00777 0.61284 1.00000
O6 O 0.59059 0.23915 0.44441 1.00000
O7 O 0.05650 0.26386 0.90941 1.00000
O8 O 0.23915 0.44441 0.59059 1.00000
O9 O 0.38871 0.18321 0.99396 1.00000
O10 O 0.44441 0.59059 0.23915 1.00000
O11 O 0.74230 0.08419 0.94132 1.00000
O12 O 0.99396 0.38871 0.18321 1.00000
O13 O 0.00777 0.61284 0.81560 1.00000
O14 O 0.26386 0.90941 0.05650 1.00000
O15 O 0.56572 0.40442 0.75781 1.00000
O16 O 0.61284 0.81560 0.00777 1.00000
O17 O 0.75781 0.56572 0.40442 1.00000
O18 O 0.94132 0.74230 0.08419 1.00000
O19 O 0.40442 0.75781 0.56572 1.00000
O20 O 0.18321 0.99396 0.38871 1.00000
O21 O 0.08419 0.94132 0.74230 1.00000
O22 O 0.30829 0.11184 0.51062 1.00000
O23 O 0.51062 0.30829 0.11184 1.00000
O24 O 0.11184 0.51062 0.30829 1.00000
