Hf3VZn(PO4)6
Alexandria ALEXAlex-ID: agm010684063 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E24_0_spg146
Hf4Zn(PO4)6 VO2 Zn3(PO4)2 HfP2O7
2025-02-25 10:43:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010684063).
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 agm010684063
data_agm010684063
_cell_length_a 8.73658
_cell_length_b 8.73658
_cell_length_c 8.73658
_cell_angle_alpha 60.95834
_cell_angle_beta 60.95834
_cell_angle_gamma 60.95834
_cell_volume 481.71208
_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 0.86748 0.86748 0.86748 1.00000
Hf2 Hf 0.64378 0.64378 0.64378 1.00000
Hf3 Hf 0.13070 0.13070 0.13070 1.00000
V1 V 0.35253 0.35253 0.35253 1.00000
Zn1 Zn 0.49457 0.49457 0.49457 1.00000
P1 P 0.25537 0.95874 0.52731 1.00000
P2 P 0.05250 0.47109 0.73459 1.00000
P3 P 0.47109 0.73459 0.05250 1.00000
P4 P 0.52731 0.25537 0.95874 1.00000
P5 P 0.95874 0.52731 0.25537 1.00000
P6 P 0.73459 0.05250 0.47109 1.00000
O1 O 0.10082 0.94449 0.71510 1.00000
O2 O 0.19367 0.99937 0.37263 1.00000
O3 O 0.28550 0.89180 0.06774 1.00000
O4 O 0.11696 0.48479 0.32169 1.00000
O5 O 0.41791 0.76849 0.54172 1.00000
O6 O 0.24115 0.45104 0.56991 1.00000
O7 O 0.06774 0.28550 0.89180 1.00000
O8 O 0.78861 0.01513 0.63134 1.00000
O9 O 0.51358 0.67234 0.89459 1.00000
O10 O 0.63134 0.78861 0.01513 1.00000
O11 O 0.67234 0.89459 0.51358 1.00000
O12 O 0.45104 0.56991 0.24115 1.00000
O13 O 0.54172 0.41791 0.76849 1.00000
O14 O 0.32169 0.11696 0.48479 1.00000
O15 O 0.37263 0.19367 0.99937 1.00000
O16 O 0.48479 0.32169 0.11696 1.00000
O17 O 0.94449 0.71510 0.10082 1.00000
O18 O 0.76849 0.54172 0.41791 1.00000
O19 O 0.56991 0.24115 0.45104 1.00000
O20 O 0.89459 0.51358 0.67234 1.00000
O21 O 0.01513 0.63134 0.78861 1.00000
O22 O 0.99937 0.37263 0.19367 1.00000
O23 O 0.71510 0.10082 0.94449 1.00000
O24 O 0.89180 0.06774 0.28550 1.00000
