V2Fe3Sn(PO4)6
Alexandria ALEXAlex-ID: agm003243733 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
Fe3(P2O7)2 VPO4 SnO2
2021-12-28 11:43:20.281623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243733).
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 agm003243733
data_agm003243733
_cell_length_a 8.57820
_cell_length_b 8.57820
_cell_length_c 8.57820
_cell_angle_alpha 60.72947
_cell_angle_beta 60.72947
_cell_angle_gamma 60.72947
_cell_volume 453.69542
_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 0.99714 0.99714 0.99714 1.00000
V2 V 0.50090 0.50090 0.50090 1.00000
Fe1 Fe 0.64628 0.64628 0.64628 1.00000
Fe2 Fe 0.85394 0.85394 0.85394 1.00000
Fe3 Fe 0.35501 0.35501 0.35501 1.00000
Sn1 Sn 0.14477 0.14477 0.14477 1.00000
P1 P 0.54913 0.95166 0.25243 1.00000
P2 P 0.25243 0.54913 0.95166 1.00000
P3 P 0.95166 0.25243 0.54913 1.00000
P4 P 0.04624 0.74633 0.45843 1.00000
P5 P 0.74633 0.45843 0.04624 1.00000
P6 P 0.45843 0.04624 0.74633 1.00000
O1 O 0.31817 0.50029 0.11022 1.00000
O2 O 0.11022 0.31817 0.50029 1.00000
O3 O 0.50029 0.11022 0.31817 1.00000
O4 O 0.74487 0.93882 0.09163 1.00000
O5 O 0.39623 0.98450 0.18377 1.00000
O6 O 0.56394 0.75359 0.40955 1.00000
O7 O 0.09163 0.74487 0.93882 1.00000
O8 O 0.40955 0.56394 0.75359 1.00000
O9 O 0.00446 0.81988 0.60887 1.00000
O10 O 0.75359 0.40955 0.56394 1.00000
O11 O 0.05945 0.90694 0.25604 1.00000
O12 O 0.81988 0.60887 0.00446 1.00000
O13 O 0.18377 0.39623 0.98450 1.00000
O14 O 0.93882 0.09163 0.74487 1.00000
O15 O 0.24607 0.59147 0.43987 1.00000
O16 O 0.98450 0.18377 0.39623 1.00000
O17 O 0.59147 0.43987 0.24607 1.00000
O18 O 0.90694 0.25604 0.05945 1.00000
O19 O 0.43987 0.24607 0.59147 1.00000
O20 O 0.60887 0.00446 0.81988 1.00000
O21 O 0.25604 0.05945 0.90694 1.00000
O22 O 0.49734 0.89234 0.67943 1.00000
O23 O 0.89234 0.67943 0.49734 1.00000
O24 O 0.67943 0.49734 0.89234 1.00000
