V3FeSb2(PO4)6
Alexandria ALEXAlex-ID: agm003243723 · 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 13:11:34.862534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243723).
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 agm003243723
data_agm003243723
_cell_length_a 8.89799
_cell_length_b 8.89799
_cell_length_c 8.89799
_cell_angle_alpha 58.57406
_cell_angle_beta 58.57406
_cell_angle_gamma 58.57406
_cell_volume 481.90858
_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 0.35213 0.35213 0.35213 1.00000
V2 V 0.14550 0.14550 0.14550 1.00000
V3 V 0.64555 0.64555 0.64555 1.00000
Fe1 Fe 0.84766 0.84766 0.84766 1.00000
Sb1 Sb 0.98999 0.98999 0.98999 1.00000
Sb2 Sb 0.49365 0.49365 0.49365 1.00000
P1 P 0.04178 0.46027 0.75028 1.00000
P2 P 0.46027 0.75028 0.04178 1.00000
P3 P 0.75028 0.04178 0.46027 1.00000
P4 P 0.24862 0.96139 0.54167 1.00000
P5 P 0.54167 0.24862 0.96139 1.00000
P6 P 0.96139 0.54167 0.24862 1.00000
O1 O 0.49367 0.69583 0.88805 1.00000
O2 O 0.69583 0.88805 0.49367 1.00000
O3 O 0.88805 0.49367 0.69583 1.00000
O4 O 0.06905 0.27001 0.91270 1.00000
O5 O 0.01248 0.61947 0.79600 1.00000
O6 O 0.23518 0.44226 0.57945 1.00000
O7 O 0.27001 0.91270 0.06905 1.00000
O8 O 0.44226 0.57945 0.23518 1.00000
O9 O 0.19280 0.99575 0.38829 1.00000
O10 O 0.57945 0.23518 0.44226 1.00000
O11 O 0.07774 0.94102 0.73631 1.00000
O12 O 0.38829 0.19280 0.99575 1.00000
O13 O 0.61947 0.79600 0.01248 1.00000
O14 O 0.91270 0.06905 0.27001 1.00000
O15 O 0.41103 0.76936 0.56794 1.00000
O16 O 0.79600 0.01248 0.61947 1.00000
O17 O 0.56794 0.41103 0.76936 1.00000
O18 O 0.73631 0.07774 0.94102 1.00000
O19 O 0.76936 0.56794 0.41103 1.00000
O20 O 0.99575 0.38829 0.19280 1.00000
O21 O 0.94102 0.73631 0.07774 1.00000
O22 O 0.11875 0.51281 0.29556 1.00000
O23 O 0.29556 0.11875 0.51281 1.00000
O24 O 0.51281 0.29556 0.11875 1.00000
