K2Hf3Al(PO4)6
Alexandria ALEXAlex-ID: agm010976735 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
KAlP2O7 HfP2O7 AlPO4 KO12 KHf2(PO4)3
2024-12-28 16:16:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010976735).
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 agm010976735
data_agm010976735
_cell_length_a 9.36337
_cell_length_b 9.36337
_cell_length_c 9.36337
_cell_angle_alpha 55.13227
_cell_angle_beta 55.13227
_cell_angle_gamma 55.13227
_cell_volume 514.76483
_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
K1 K 0.00024 0.00024 0.00024 1.00000
K2 K 0.49820 0.49820 0.49820 1.00000
Hf1 Hf 0.14828 0.14828 0.14828 1.00000
Hf2 Hf 0.64880 0.64880 0.64880 1.00000
Hf3 Hf 0.85023 0.85023 0.85023 1.00000
Al1 Al 0.34937 0.34937 0.34937 1.00000
P1 P 0.46395 0.04823 0.73323 1.00000
P2 P 0.24816 0.53273 0.97663 1.00000
P3 P 0.97663 0.24816 0.53273 1.00000
P4 P 0.04823 0.73323 0.46395 1.00000
P5 P 0.73323 0.46395 0.04823 1.00000
P6 P 0.53273 0.97663 0.24816 1.00000
O1 O 0.63837 0.01960 0.74425 1.00000
O2 O 0.29210 0.08636 0.90867 1.00000
O3 O 0.94885 0.06698 0.70060 1.00000
O4 O 0.24409 0.36222 0.99147 1.00000
O5 O 0.73686 0.48737 0.86956 1.00000
O6 O 0.43219 0.21367 0.55590 1.00000
O7 O 0.41753 0.57560 0.79859 1.00000
O8 O 0.14715 0.26255 0.50300 1.00000
O9 O 0.99147 0.24409 0.36222 1.00000
O10 O 0.06698 0.70060 0.94885 1.00000
O11 O 0.50300 0.14715 0.26255 1.00000
O12 O 0.79859 0.41753 0.57560 1.00000
O13 O 0.21367 0.55590 0.43219 1.00000
O14 O 0.48737 0.86956 0.73686 1.00000
O15 O 0.90867 0.29210 0.08636 1.00000
O16 O 0.01960 0.74425 0.63837 1.00000
O17 O 0.86956 0.73686 0.48737 1.00000
O18 O 0.55590 0.43219 0.21367 1.00000
O19 O 0.57560 0.79859 0.41753 1.00000
O20 O 0.26255 0.50300 0.14715 1.00000
O21 O 0.74425 0.63837 0.01960 1.00000
O22 O 0.08636 0.90867 0.29210 1.00000
O23 O 0.70060 0.94885 0.06698 1.00000
O24 O 0.36222 0.99147 0.24409 1.00000
