V2Fe3Ni(PO4)6
Alexandria ALEXAlex-ID: agm003243716 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
Fe3(P2O7)2 V2Ni(PO5)2
2021-12-28 11:45:54.145423
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243716).
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 agm003243716
data_agm003243716
_cell_length_a 8.37509
_cell_length_b 8.37509
_cell_length_c 8.37509
_cell_angle_alpha 62.23877
_cell_angle_beta 62.23877
_cell_angle_gamma 62.23877
_cell_volume 436.15255
_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 0.00158 0.00158 0.00158 1.00000
V2 V 0.50104 0.50104 0.50104 1.00000
Fe1 Fe 0.64673 0.64673 0.64673 1.00000
Fe2 Fe 0.85408 0.85408 0.85408 1.00000
Fe3 Fe 0.35281 0.35281 0.35281 1.00000
Ni1 Ni 0.14485 0.14485 0.14485 1.00000
P1 P 0.95223 0.24861 0.54734 1.00000
P2 P 0.54734 0.95223 0.24861 1.00000
P3 P 0.24861 0.54734 0.95223 1.00000
P4 P 0.74893 0.45222 0.04851 1.00000
P5 P 0.45222 0.04851 0.74893 1.00000
P6 P 0.04851 0.74893 0.45222 1.00000
O1 O 0.50583 0.10691 0.32342 1.00000
O2 O 0.32342 0.50583 0.10691 1.00000
O3 O 0.10691 0.32342 0.50583 1.00000
O4 O 0.93780 0.09790 0.75618 1.00000
O5 O 0.98777 0.17354 0.39900 1.00000
O6 O 0.74621 0.40240 0.56878 1.00000
O7 O 0.75618 0.93780 0.09790 1.00000
O8 O 0.56878 0.74621 0.40240 1.00000
O9 O 0.82414 0.60660 0.00588 1.00000
O10 O 0.40240 0.56878 0.74621 1.00000
O11 O 0.89899 0.24720 0.05952 1.00000
O12 O 0.60660 0.00588 0.82414 1.00000
O13 O 0.39900 0.98777 0.17354 1.00000
O14 O 0.09790 0.75618 0.93780 1.00000
O15 O 0.59801 0.43590 0.25370 1.00000
O16 O 0.17354 0.39900 0.98777 1.00000
O17 O 0.43590 0.25370 0.59801 1.00000
O18 O 0.24720 0.05952 0.89899 1.00000
O19 O 0.25370 0.59801 0.43590 1.00000
O20 O 0.00588 0.82414 0.60660 1.00000
O21 O 0.05952 0.89899 0.24720 1.00000
O22 O 0.89588 0.66949 0.49998 1.00000
O23 O 0.66949 0.49998 0.89588 1.00000
O24 O 0.49998 0.89588 0.66949 1.00000
