K3Y2(PO4)3
Alexandria ALEXAlex-ID: agm011237209 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D12_23_spg9
K3Y(PO4)2 YPO4
2024-09-30 22:54:32.497073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011237209).
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 agm011237209
data_agm011237209
_cell_length_a 9.49750
_cell_length_b 9.49750
_cell_length_c 9.71694
_cell_angle_alpha 61.49334
_cell_angle_beta 61.49334
_cell_angle_gamma 60.06510
_cell_volume 633.72103
_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 0.93376 0.61249 0.51148 1.00000
K2 K 0.61249 0.93376 0.01148 1.00000
K3 K 0.39973 0.59365 0.26450 1.00000
K4 K 0.59365 0.39973 0.76450 1.00000
K5 K 0.11050 0.24949 0.25213 1.00000
K6 K 0.24949 0.11050 0.75213 1.00000
Y1 Y 0.14230 0.66118 0.04860 1.00000
Y2 Y 0.66118 0.14230 0.54860 1.00000
Y3 Y 0.85099 0.35235 0.96545 1.00000
Y4 Y 0.35235 0.85099 0.46545 1.00000
P1 P 0.46270 0.24485 0.24735 1.00000
P2 P 0.24485 0.46270 0.74735 1.00000
P3 P 0.53933 0.75388 0.77488 1.00000
P4 P 0.75388 0.53933 0.27488 1.00000
P5 P 0.05582 0.95519 0.24856 1.00000
P6 P 0.95519 0.05582 0.74856 1.00000
O1 O 0.21686 0.92105 0.28269 1.00000
O2 O 0.92105 0.21686 0.78269 1.00000
O3 O 0.79473 0.08275 0.72051 1.00000
O4 O 0.08275 0.79473 0.22051 1.00000
O5 O 0.62098 0.26918 0.09427 1.00000
O6 O 0.26918 0.62098 0.59427 1.00000
O7 O 0.37743 0.74121 0.92683 1.00000
O8 O 0.74121 0.37743 0.42683 1.00000
O9 O 0.48981 0.22930 0.40103 1.00000
O10 O 0.22930 0.48981 0.90103 1.00000
O11 O 0.50786 0.76905 0.62423 1.00000
O12 O 0.76905 0.50786 0.12423 1.00000
O13 O 0.43368 0.08407 0.27692 1.00000
O14 O 0.08407 0.43368 0.77692 1.00000
O15 O 0.57555 0.91317 0.73775 1.00000
O16 O 0.91317 0.57555 0.23775 1.00000
O17 O 0.30102 0.40696 0.21612 1.00000
O18 O 0.40696 0.30102 0.71612 1.00000
O19 O 0.69619 0.59006 0.80692 1.00000
O20 O 0.59006 0.69619 0.30692 1.00000
O21 O 0.03269 0.11711 0.09527 1.00000
O22 O 0.11711 0.03269 0.59527 1.00000
O23 O 0.98741 0.89406 0.89930 1.00000
O24 O 0.89406 0.98741 0.39930 1.00000
