LaP8Ru
Alexandria ALEXAlex-ID: agm011728362 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_130_spg1
LaP5 LaP2 P4Ru
2024-05-01 00:26:17.348465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011728362).
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 agm011728362
data_agm011728362
_cell_length_a 7.01304
_cell_length_b 6.88886
_cell_length_c 8.75646
_cell_angle_alpha 93.08519
_cell_angle_beta 97.53452
_cell_angle_gamma 105.68650
_cell_volume 401.99823
_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 0.37686 0.67703 0.83913 1.00000
La2 La 0.83548 0.21410 0.63689 1.00000
P1 P 0.09996 0.96227 0.77548 1.00000
P2 P 0.24275 0.40545 0.54895 1.00000
P3 P 0.81974 0.69722 0.75034 1.00000
P4 P 0.50658 0.36896 0.47038 1.00000
P5 P 0.72533 0.68193 0.49530 1.00000
P6 P 0.05600 0.00953 0.22477 1.00000
P7 P 0.63439 0.62357 0.13000 1.00000
P8 P 0.11011 0.24623 0.93145 1.00000
P9 P 0.45264 0.82427 0.20498 1.00000
P10 P 0.86053 0.15223 0.07006 1.00000
P11 P 0.50474 0.87104 0.45948 1.00000
P12 P 0.83060 0.32033 0.28802 1.00000
P13 P 0.51410 0.31675 0.21168 1.00000
P14 P 0.20383 0.70383 0.50607 1.00000
P15 P 0.59247 0.12996 0.90122 1.00000
P16 P 0.13787 0.70096 0.11201 1.00000
Ru1 Ru 0.93325 0.68431 0.30760 1.00000
Ru2 Ru 0.31412 0.04526 0.05113 1.00000
Get direct link