LaPO4
Alexandria ALEXAlex-ID: agm003231663 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_111_spg14
LaPO4
2021-12-11 08:32:09.023973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003231663).
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 agm003231663
data_agm003231663
_cell_length_a 7.14638
_cell_length_b 6.54197
_cell_length_c 8.33223
_cell_angle_alpha 54.00995
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 315.18724
_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
La1 La 0.34124 0.18623 0.21491 1.00000
La2 La 0.84124 0.81377 0.28509 1.00000
La3 La 0.65876 0.81377 0.78509 1.00000
La4 La 0.15876 0.18623 0.71491 1.00000
P1 P 0.33816 0.69342 0.19575 1.00000
P2 P 0.83816 0.30658 0.30425 1.00000
P3 P 0.66184 0.30658 0.80425 1.00000
P4 P 0.16184 0.69342 0.69575 1.00000
O1 O 0.39664 0.66689 0.02910 1.00000
O2 O 0.89664 0.33311 0.47090 1.00000
O3 O 0.60336 0.33311 0.97090 1.00000
O4 O 0.10336 0.66689 0.52910 1.00000
O5 O 0.17073 0.88331 0.11899 1.00000
O6 O 0.67073 0.11669 0.38101 1.00000
O7 O 0.82927 0.11669 0.88101 1.00000
O8 O 0.32927 0.88331 0.61899 1.00000
O9 O 0.21290 0.42046 0.87127 1.00000
O10 O 0.71290 0.57954 0.62873 1.00000
O11 O 0.78710 0.57954 0.12873 1.00000
O12 O 0.28710 0.42046 0.37127 1.00000
O13 O 0.00635 0.80819 0.75037 1.00000
O14 O 0.50635 0.19181 0.74963 1.00000
O15 O 0.99365 0.19181 0.24963 1.00000
O16 O 0.49365 0.80819 0.25037 1.00000
