K2AlPCO7
Alexandria ALEXAlex-ID: agm010229537 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E7_23_spg2
KAl(CO3)2 K3Al2(PO4)3 K2CO3
2024-04-06 20:38:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010229537).
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 agm010229537
data_agm010229537
_cell_length_a 5.49026
_cell_length_b 6.29499
_cell_length_c 9.62890
_cell_angle_alpha 91.48666
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 332.67414
_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 0.75000 0.77856 0.06144 1.00000
K2 K 0.25000 0.22144 0.93856 1.00000
K3 K 0.25000 0.56258 0.28375 1.00000
K4 K 0.75000 0.43742 0.71625 1.00000
Al1 Al 0.75000 0.23906 0.35243 1.00000
Al2 Al 0.25000 0.76094 0.64757 1.00000
P1 P 0.75000 0.74979 0.43970 1.00000
P2 P 0.25000 0.25021 0.56030 1.00000
C1 C 0.75000 0.26072 0.10292 1.00000
C2 C 0.25000 0.73928 0.89708 1.00000
O1 O 0.25000 0.71611 0.02810 1.00000
O2 O 0.75000 0.28389 0.97190 1.00000
O3 O 0.94975 0.24540 0.17718 1.00000
O4 O 0.05025 0.75460 0.82282 1.00000
O5 O 0.55025 0.24540 0.17718 1.00000
O6 O 0.44975 0.75460 0.82282 1.00000
O7 O 0.75000 0.55038 0.33998 1.00000
O8 O 0.25000 0.44962 0.66002 1.00000
O9 O 0.75000 0.94154 0.34285 1.00000
O10 O 0.25000 0.05846 0.65715 1.00000
O11 O 0.01791 0.25469 0.47030 1.00000
O12 O 0.98209 0.74531 0.52970 1.00000
O13 O 0.51791 0.74531 0.52970 1.00000
O14 O 0.48209 0.25469 0.47030 1.00000
