K2Hf3V(PO4)6
Alexandria ALEXAlex-ID: agm010967142 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_15_spg146
KV2(PO4)3 KHf2(PO4)3
2024-10-25 10:51:02.690697
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010967142).
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 agm010967142
data_agm010967142
_cell_length_a 9.38480
_cell_length_b 9.38480
_cell_length_c 9.38480
_cell_angle_alpha 55.26187
_cell_angle_beta 55.26187
_cell_angle_gamma 55.26187
_cell_volume 520.10430
_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 0.00300 0.00300 0.00300 1.00000
K2 K 0.50100 0.50100 0.50100 1.00000
Hf1 Hf 0.35303 0.35303 0.35303 1.00000
Hf2 Hf 0.65096 0.65096 0.65096 1.00000
Hf3 Hf 0.85232 0.85232 0.85232 1.00000
V1 V 0.15184 0.15184 0.15184 1.00000
P1 P 0.03759 0.45795 0.76209 1.00000
P2 P 0.52905 0.25280 0.96716 1.00000
P3 P 0.25280 0.96716 0.52905 1.00000
P4 P 0.76209 0.03759 0.45795 1.00000
P5 P 0.45795 0.76209 0.03759 1.00000
P6 P 0.96716 0.52905 0.25280 1.00000
O1 O 0.01463 0.63449 0.76086 1.00000
O2 O 0.06729 0.29121 0.94063 1.00000
O3 O 0.08191 0.92778 0.70305 1.00000
O4 O 0.48453 0.75319 0.86368 1.00000
O5 O 0.20895 0.41793 0.58928 1.00000
O6 O 0.55579 0.43251 0.79991 1.00000
O7 O 0.25722 0.13911 0.50900 1.00000
O8 O 0.99249 0.35747 0.24050 1.00000
O9 O 0.24050 0.99249 0.35747 1.00000
O10 O 0.70305 0.08191 0.92778 1.00000
O11 O 0.13911 0.50900 0.25722 1.00000
O12 O 0.43251 0.79991 0.55579 1.00000
O13 O 0.58928 0.20895 0.41793 1.00000
O14 O 0.86368 0.48453 0.75319 1.00000
O15 O 0.29121 0.94063 0.06729 1.00000
O16 O 0.76086 0.01463 0.63449 1.00000
O17 O 0.75319 0.86368 0.48453 1.00000
O18 O 0.41793 0.58928 0.20895 1.00000
O19 O 0.79991 0.55579 0.43251 1.00000
O20 O 0.50900 0.25722 0.13911 1.00000
O21 O 0.35747 0.24050 0.99249 1.00000
O22 O 0.63449 0.76086 0.01463 1.00000
O23 O 0.94063 0.06729 0.29121 1.00000
O24 O 0.92778 0.70305 0.08191 1.00000
