K3Dy2(PO4)3
Alexandria ALEXAlex-ID: agm016485482 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D12_59_spg148
K3Dy(PO4)2 DyPO4
2024-09-22 03:53:27.538433
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016485482).
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 agm016485482
data_agm016485482
_cell_length_a 9.63461
_cell_length_b 9.63461
_cell_length_c 9.63461
_cell_angle_alpha 60.32138
_cell_angle_beta 60.32138
_cell_angle_gamma 60.32138
_cell_volume 636.99194
_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 0.39300 0.75000 0.10700 1.00000
K2 K 0.10700 0.39300 0.75000 1.00000
K3 K 0.89300 0.60700 0.25000 1.00000
K4 K 0.75000 0.10700 0.39300 1.00000
K5 K 0.25000 0.89300 0.60700 1.00000
K6 K 0.60700 0.25000 0.89300 1.00000
Dy1 Dy 0.84978 0.84978 0.84978 1.00000
Dy2 Dy 0.65022 0.65022 0.65022 1.00000
Dy3 Dy 0.15022 0.15022 0.15022 1.00000
Dy4 Dy 0.34978 0.34978 0.34978 1.00000
P1 P 0.25000 0.54517 0.95483 1.00000
P2 P 0.95483 0.25000 0.54517 1.00000
P3 P 0.54517 0.95483 0.25000 1.00000
P4 P 0.75000 0.45483 0.04517 1.00000
P5 P 0.45483 0.04517 0.75000 1.00000
P6 P 0.04517 0.75000 0.45483 1.00000
O1 O 0.88006 0.73401 0.48085 1.00000
O2 O 0.42307 0.19909 0.59033 1.00000
O3 O 0.38006 0.98085 0.23401 1.00000
O4 O 0.40967 0.57693 0.80091 1.00000
O5 O 0.90967 0.30091 0.07693 1.00000
O6 O 0.07693 0.90967 0.30091 1.00000
O7 O 0.09033 0.69909 0.92307 1.00000
O8 O 0.11994 0.26599 0.51915 1.00000
O9 O 0.61994 0.01915 0.76599 1.00000
O10 O 0.57693 0.80091 0.40967 1.00000
O11 O 0.76599 0.61994 0.01915 1.00000
O12 O 0.51915 0.11994 0.26599 1.00000
O13 O 0.30091 0.07693 0.90967 1.00000
O14 O 0.26599 0.51915 0.11994 1.00000
O15 O 0.19909 0.59033 0.42307 1.00000
O16 O 0.73401 0.48085 0.88006 1.00000
O17 O 0.69909 0.92307 0.09033 1.00000
O18 O 0.92307 0.09033 0.69909 1.00000
O19 O 0.48085 0.88006 0.73401 1.00000
O20 O 0.01915 0.76599 0.61994 1.00000
O21 O 0.59033 0.42307 0.19909 1.00000
O22 O 0.80091 0.40967 0.57693 1.00000
O23 O 0.23401 0.38006 0.98085 1.00000
O24 O 0.98085 0.23401 0.38006 1.00000
