LaP2
Alexandria ALEXAlex-ID: agm005542018 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_497_spg14
LaP2
2023-05-28 13:34:11.142782
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005542018).
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 agm005542018
data_agm005542018
_cell_length_a 4.13859
_cell_length_b 6.66579
_cell_length_c 10.00684
_cell_angle_alpha 90.00000
_cell_angle_beta 97.61620
_cell_angle_gamma 90.00000
_cell_volume 273.62310
_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 0.72178 0.18146 0.63967 1.00000
La2 La 0.77822 0.68146 0.86033 1.00000
La3 La 0.27822 0.81854 0.36033 1.00000
La4 La 0.22178 0.31854 0.13967 1.00000
P1 P 0.19644 0.83370 0.66358 1.00000
P2 P 0.30356 0.33370 0.83642 1.00000
P3 P 0.80356 0.16630 0.33642 1.00000
P4 P 0.69644 0.66630 0.16358 1.00000
P5 P 0.64510 0.12115 0.95391 1.00000
P6 P 0.85490 0.62115 0.54609 1.00000
P7 P 0.35490 0.87885 0.04609 1.00000
P8 P 0.14510 0.37885 0.45391 1.00000
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