K2LaPCO7
Alexandria ALEXAlex-ID: agm003229863 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E7_10_spg11
K3La(PO4)2 K5La(CO3)4 LaPO4
2021-12-10 20:30:48.008905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003229863).
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 agm003229863
data_agm003229863
_cell_length_a 7.41685
_cell_length_b 5.66735
_cell_length_c 10.23199
_cell_angle_alpha 88.65473
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 429.97116
_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 0.48441 0.26110 0.79465 1.00000
K2 K 0.01559 0.26110 0.79465 1.00000
K3 K 0.51559 0.73890 0.20535 1.00000
K4 K 0.98441 0.73890 0.20535 1.00000
La1 La 0.75000 0.79899 0.60728 1.00000
La2 La 0.25000 0.20101 0.39272 1.00000
P1 P 0.25000 0.70582 0.57149 1.00000
P2 P 0.75000 0.29418 0.42851 1.00000
C1 C 0.75000 0.75146 0.89212 1.00000
C2 C 0.25000 0.24854 0.10788 1.00000
O1 O 0.25000 0.28139 0.98542 1.00000
O2 O 0.75000 0.96118 0.83500 1.00000
O3 O 0.75000 0.57312 0.81025 1.00000
O4 O 0.07763 0.81596 0.63167 1.00000
O5 O 0.42237 0.81596 0.63167 1.00000
O6 O 0.75000 0.23719 0.57948 1.00000
O7 O 0.25000 0.43170 0.59220 1.00000
O8 O 0.75000 0.56830 0.40780 1.00000
O9 O 0.25000 0.76281 0.42052 1.00000
O10 O 0.57763 0.18404 0.36833 1.00000
O11 O 0.92237 0.18404 0.36833 1.00000
O12 O 0.25000 0.42688 0.18975 1.00000
O13 O 0.25000 0.03882 0.16500 1.00000
O14 O 0.75000 0.71861 0.01458 1.00000
