Hf3Sb(PO4)6
Alexandria ALEXAlex-ID: agm020935271 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
Sb2O5 Hf3(PO5)4 SbPO5 HfP2O7
2025-01-28 12:12:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020935271).
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 agm020935271
data_agm020935271
_cell_length_a 9.18497
_cell_length_b 9.18497
_cell_length_c 9.18497
_cell_angle_alpha 57.41769
_cell_angle_beta 57.41769
_cell_angle_gamma 57.41769
_cell_volume 515.36611
_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 0.14462 0.14462 0.14462 1.00000
Hf2 Hf 0.35730 0.35730 0.35730 1.00000
Hf3 Hf 0.86007 0.86007 0.86007 1.00000
Sb1 Sb 0.64675 0.64675 0.64675 1.00000
P1 P 0.46751 0.75558 0.02548 1.00000
P2 P 0.02548 0.46751 0.75558 1.00000
P3 P 0.75558 0.02548 0.46751 1.00000
P4 P 0.95758 0.53305 0.26352 1.00000
P5 P 0.26352 0.95758 0.53305 1.00000
P6 P 0.53305 0.26352 0.95758 1.00000
O1 O 0.48425 0.75308 0.84704 1.00000
O2 O 0.84704 0.48425 0.75308 1.00000
O3 O 0.75308 0.84704 0.48425 1.00000
O4 O 0.98964 0.36598 0.23587 1.00000
O5 O 0.23587 0.98964 0.36598 1.00000
O6 O 0.36598 0.23587 0.98964 1.00000
O7 O 0.50678 0.27706 0.12982 1.00000
O8 O 0.12982 0.50678 0.27706 1.00000
O9 O 0.27706 0.12982 0.50678 1.00000
O10 O 0.99652 0.63531 0.77806 1.00000
O11 O 0.77806 0.99652 0.63531 1.00000
O12 O 0.63531 0.77806 0.99652 1.00000
O13 O 0.54201 0.44790 0.79024 1.00000
O14 O 0.79024 0.54201 0.44790 1.00000
O15 O 0.44790 0.79024 0.54201 1.00000
O16 O 0.06165 0.29441 0.92229 1.00000
O17 O 0.92229 0.06165 0.29441 1.00000
O18 O 0.29441 0.92229 0.06165 1.00000
O19 O 0.44386 0.57854 0.18927 1.00000
O20 O 0.18927 0.44386 0.57854 1.00000
O21 O 0.57854 0.18927 0.44386 1.00000
O22 O 0.91221 0.71036 0.10195 1.00000
O23 O 0.10195 0.91221 0.71036 1.00000
O24 O 0.71036 0.10195 0.91221 1.00000
