Hf3VFe(PO4)6
Alexandria ALEXAlex-ID: agm010684207 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E24_0_spg146
VO2 Fe3(PO4)2 Hf4Fe(PO4)6 HfP2O7
2025-03-01 14:57:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010684207).
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 agm010684207
data_agm010684207
_cell_length_a 8.73780
_cell_length_b 8.73780
_cell_length_c 8.73780
_cell_angle_alpha 61.03101
_cell_angle_beta 61.03101
_cell_angle_gamma 61.03101
_cell_volume 482.67988
_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
Hf1 Hf 0.86759 0.86759 0.86759 1.00000
Hf2 Hf 0.64368 0.64368 0.64368 1.00000
Hf3 Hf 0.13113 0.13113 0.13113 1.00000
V1 V 0.35350 0.35350 0.35350 1.00000
Fe1 Fe 0.49622 0.49622 0.49622 1.00000
P1 P 0.25483 0.96056 0.52797 1.00000
P2 P 0.05167 0.47098 0.73549 1.00000
P3 P 0.47098 0.73549 0.05167 1.00000
P4 P 0.52797 0.25483 0.96056 1.00000
P5 P 0.96056 0.52797 0.25483 1.00000
P6 P 0.73549 0.05167 0.47098 1.00000
O1 O 0.09929 0.94711 0.71470 1.00000
O2 O 0.19496 0.00008 0.37239 1.00000
O3 O 0.28645 0.89370 0.06586 1.00000
O4 O 0.11813 0.48572 0.32166 1.00000
O5 O 0.41596 0.76962 0.54406 1.00000
O6 O 0.24085 0.44940 0.57240 1.00000
O7 O 0.06586 0.28645 0.89370 1.00000
O8 O 0.78805 0.01510 0.63200 1.00000
O9 O 0.51330 0.67307 0.89402 1.00000
O10 O 0.63200 0.78805 0.01510 1.00000
O11 O 0.67307 0.89402 0.51330 1.00000
O12 O 0.44940 0.57240 0.24085 1.00000
O13 O 0.54406 0.41596 0.76962 1.00000
O14 O 0.32166 0.11813 0.48572 1.00000
O15 O 0.37239 0.19496 0.00008 1.00000
O16 O 0.48572 0.32166 0.11813 1.00000
O17 O 0.94711 0.71470 0.09929 1.00000
O18 O 0.76962 0.54406 0.41596 1.00000
O19 O 0.57240 0.24085 0.44940 1.00000
O20 O 0.89402 0.51330 0.67307 1.00000
O21 O 0.01510 0.63200 0.78805 1.00000
O22 O 0.00008 0.37239 0.19496 1.00000
O23 O 0.71470 0.09929 0.94711 1.00000
O24 O 0.89370 0.06586 0.28645 1.00000
