K2Hf3P6RhO24
Alexandria ALEXAlex-ID: agm010975673 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_15_spg146
KHf2(PO4)3 HfP2O7 KPO3 RhO2
2024-08-24 23:48:54.147520
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010975673).
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 agm010975673
data_agm010975673
_cell_length_a 9.41290
_cell_length_b 9.41290
_cell_length_c 9.41290
_cell_angle_alpha 54.71454
_cell_angle_beta 54.71454
_cell_angle_gamma 54.71454
_cell_volume 517.12589
_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 0.00124 0.00124 0.00124 1.00000
K2 K 0.50074 0.50074 0.50074 1.00000
Hf1 Hf 0.35339 0.35339 0.35339 1.00000
Hf2 Hf 0.64953 0.64953 0.64953 1.00000
Hf3 Hf 0.84963 0.84963 0.84963 1.00000
P1 P 0.03753 0.45577 0.76143 1.00000
P2 P 0.52630 0.25184 0.96784 1.00000
P3 P 0.25184 0.96784 0.52630 1.00000
P4 P 0.76143 0.03753 0.45577 1.00000
P5 P 0.45577 0.76143 0.03753 1.00000
P6 P 0.96784 0.52630 0.25184 1.00000
Rh1 Rh 0.15174 0.15174 0.15174 1.00000
O1 O 0.01778 0.63670 0.74841 1.00000
O2 O 0.03366 0.29967 0.95653 1.00000
O3 O 0.06579 0.94759 0.68664 1.00000
O4 O 0.48691 0.73584 0.87206 1.00000
O5 O 0.22034 0.39632 0.60238 1.00000
O6 O 0.57805 0.41696 0.79034 1.00000
O7 O 0.26358 0.13528 0.50614 1.00000
O8 O 0.97964 0.34294 0.27327 1.00000
O9 O 0.27327 0.97964 0.34294 1.00000
O10 O 0.68664 0.06579 0.94759 1.00000
O11 O 0.13528 0.50614 0.26358 1.00000
O12 O 0.41696 0.79034 0.57805 1.00000
O13 O 0.60238 0.22034 0.39632 1.00000
O14 O 0.87206 0.48691 0.73584 1.00000
O15 O 0.29967 0.95653 0.03366 1.00000
O16 O 0.74841 0.01778 0.63670 1.00000
O17 O 0.73584 0.87206 0.48691 1.00000
O18 O 0.39632 0.60238 0.22034 1.00000
O19 O 0.79034 0.57805 0.41696 1.00000
O20 O 0.50614 0.26358 0.13528 1.00000
O21 O 0.34294 0.27327 0.97964 1.00000
O22 O 0.63670 0.74841 0.01778 1.00000
O23 O 0.95653 0.03366 0.29967 1.00000
O24 O 0.94759 0.68664 0.06579 1.00000
