K3Al2(PO4)3
Alexandria ALEXAlex-ID: agm011237269 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D12_32_spg36
K3Al2(PO4)3
2024-12-28 09:14:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011237269).
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 agm011237269
data_agm011237269
_cell_length_a 9.56270
_cell_length_b 9.56270
_cell_length_c 8.99379
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 126.88615
_cell_volume 657.81100
_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 0.36816 0.36816 0.64416 1.00000
K2 K 0.63184 0.63184 0.14416 1.00000
K3 K 0.17275 0.94407 0.97402 1.00000
K4 K 0.82725 0.05593 0.47402 1.00000
K5 K 0.05593 0.82725 0.47402 1.00000
K6 K 0.94407 0.17275 0.97402 1.00000
Al1 Al 0.48336 0.81921 0.82052 1.00000
Al2 Al 0.51664 0.18079 0.32052 1.00000
Al3 Al 0.18079 0.51664 0.32052 1.00000
Al4 Al 0.81921 0.48336 0.82052 1.00000
P1 P 0.77672 0.77672 0.76851 1.00000
P2 P 0.22328 0.22328 0.26851 1.00000
P3 P 0.53065 0.12228 0.65387 1.00000
P4 P 0.46935 0.87772 0.15387 1.00000
P5 P 0.87772 0.46935 0.15387 1.00000
P6 P 0.12228 0.53065 0.65387 1.00000
O1 O 0.71552 0.71552 0.60932 1.00000
O2 O 0.28448 0.28448 0.10932 1.00000
O3 O 0.95354 0.95354 0.78507 1.00000
O4 O 0.04646 0.04646 0.28507 1.00000
O5 O 0.63362 0.77662 0.86063 1.00000
O6 O 0.36638 0.22338 0.36063 1.00000
O7 O 0.22338 0.36638 0.36063 1.00000
O8 O 0.77662 0.63362 0.86063 1.00000
O9 O 0.33833 0.03443 0.67397 1.00000
O10 O 0.66167 0.96557 0.17397 1.00000
O11 O 0.96557 0.66167 0.17397 1.00000
O12 O 0.03443 0.33833 0.67397 1.00000
O13 O 0.63877 0.30709 0.72680 1.00000
O14 O 0.36123 0.69291 0.22680 1.00000
O15 O 0.69291 0.36123 0.22680 1.00000
O16 O 0.30709 0.63877 0.72680 1.00000
O17 O 0.40862 0.84838 0.98771 1.00000
O18 O 0.59138 0.15162 0.48771 1.00000
O19 O 0.15162 0.59138 0.48771 1.00000
O20 O 0.84838 0.40862 0.98771 1.00000
O21 O 0.59350 0.01692 0.71999 1.00000
O22 O 0.40650 0.98308 0.21999 1.00000
O23 O 0.98308 0.40650 0.21999 1.00000
O24 O 0.01692 0.59350 0.71999 1.00000
