LaP5
Alexandria ALEXAlex-ID: agm005289889 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_505_spg11
LaP5
2022-12-12 23:39:43.388973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289889).
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 agm005289889
data_agm005289889
_cell_length_a 9.73314
_cell_length_b 5.59384
_cell_length_c 9.81012
_cell_angle_alpha 74.61681
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 514.98243
_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 0.25000 0.09532 0.04408 1.00000
La2 La 0.75000 0.90468 0.95592 1.00000
La3 La 0.25000 0.15037 0.50272 1.00000
La4 La 0.75000 0.84963 0.49728 1.00000
P1 P 0.58137 0.44041 0.68861 1.00000
P2 P 0.08137 0.55959 0.31139 1.00000
P3 P 0.41863 0.55959 0.31139 1.00000
P4 P 0.91863 0.44041 0.68861 1.00000
P5 P 0.54435 0.14748 0.12922 1.00000
P6 P 0.04435 0.85252 0.87078 1.00000
P7 P 0.45565 0.85252 0.87078 1.00000
P8 P 0.95565 0.14748 0.12922 1.00000
P9 P 0.59715 0.48626 0.18696 1.00000
P10 P 0.09715 0.51374 0.81304 1.00000
P11 P 0.40285 0.51374 0.81304 1.00000
P12 P 0.90285 0.48626 0.18696 1.00000
P13 P 0.25000 0.59167 0.63822 1.00000
P14 P 0.75000 0.40833 0.36178 1.00000
P15 P 0.53510 0.07256 0.66323 1.00000
P16 P 0.03510 0.92744 0.33677 1.00000
P17 P 0.46490 0.92744 0.33677 1.00000
P18 P 0.96490 0.07256 0.66323 1.00000
P19 P 0.25000 0.54140 0.16072 1.00000
P20 P 0.75000 0.45860 0.83928 1.00000
