V2Ni(PO4)3
Alexandria ALEXAlex-ID: agm003243154 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_78_spg167
Ni2P2O7 V2Ni(PO5)2 VP2O7 VPO4
2021-12-28 07:27:31.803300
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243154).
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 agm003243154
data_agm003243154
_cell_length_a 8.46878
_cell_length_b 8.46878
_cell_length_c 8.46878
_cell_angle_alpha 61.12682
_cell_angle_beta 61.12682
_cell_angle_gamma 61.12682
_cell_volume 440.37619
_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 0.14206 0.14206 0.14206 1.00000
V2 V 0.35794 0.35794 0.35794 1.00000
V3 V 0.64206 0.64206 0.64206 1.00000
V4 V 0.85794 0.85794 0.85794 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.50000 0.50000 0.50000 1.00000
P1 P 0.04385 0.75000 0.45615 1.00000
P2 P 0.45615 0.04385 0.75000 1.00000
P3 P 0.75000 0.45615 0.04385 1.00000
P4 P 0.25000 0.54385 0.95615 1.00000
P5 P 0.54385 0.95615 0.25000 1.00000
P6 P 0.95615 0.25000 0.54385 1.00000
O1 O 0.11403 0.31765 0.50321 1.00000
O2 O 0.31765 0.50321 0.11403 1.00000
O3 O 0.05874 0.90992 0.25743 1.00000
O4 O 0.50321 0.11403 0.31765 1.00000
O5 O 0.00321 0.81765 0.61403 1.00000
O6 O 0.24257 0.59008 0.44126 1.00000
O7 O 0.25743 0.05874 0.90992 1.00000
O8 O 0.44126 0.24257 0.59008 1.00000
O9 O 0.18235 0.38597 0.99679 1.00000
O10 O 0.59008 0.44126 0.24257 1.00000
O11 O 0.09008 0.74257 0.94126 1.00000
O12 O 0.38597 0.99679 0.18235 1.00000
O13 O 0.61403 0.00321 0.81765 1.00000
O14 O 0.90992 0.25743 0.05874 1.00000
O15 O 0.40992 0.55874 0.75743 1.00000
O16 O 0.81765 0.61403 0.00321 1.00000
O17 O 0.55874 0.75743 0.40992 1.00000
O18 O 0.74257 0.94126 0.09008 1.00000
O19 O 0.75743 0.40992 0.55874 1.00000
O20 O 0.99679 0.18235 0.38597 1.00000
O21 O 0.49679 0.88597 0.68235 1.00000
O22 O 0.94126 0.09008 0.74257 1.00000
O23 O 0.68235 0.49679 0.88597 1.00000
O24 O 0.88597 0.68235 0.49679 1.00000
