La8RuN
Alexandria ALEXAlex-ID: agm011728014 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_280_spg1
La4Ru La4N3 La
2024-04-16 10:24:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011728014).
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 agm011728014
data_agm011728014
_cell_length_a 8.68893
_cell_length_b 8.59484
_cell_length_c 10.23649
_cell_angle_alpha 65.80509
_cell_angle_beta 75.78596
_cell_angle_gamma 71.41762
_cell_volume 655.08770
_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 0.61860 0.83235 0.36468 1.00000
La2 La 0.80672 0.18707 0.40988 1.00000
La3 La 0.15427 0.81656 0.53230 1.00000
La4 La 0.43463 0.53394 0.30238 1.00000
La5 La 0.45945 0.96870 0.97758 1.00000
La6 La 0.83979 0.60378 0.12683 1.00000
La7 La 0.09062 0.35082 0.86713 1.00000
La8 La 0.93508 0.05216 0.76585 1.00000
La9 La 0.55018 0.43367 0.64274 1.00000
La10 La 0.72476 0.72174 0.73487 1.00000
La11 La 0.21470 0.22320 0.24974 1.00000
La12 La 0.66522 0.25516 0.03353 1.00000
La13 La 0.27165 0.64756 0.91528 1.00000
La14 La 0.32544 0.10269 0.60114 1.00000
La15 La 0.04351 0.91900 0.15870 1.00000
La16 La 0.97375 0.47293 0.47169 1.00000
Ru1 Ru 0.62720 0.07929 0.70028 1.00000
Ru2 Ru 0.55791 0.59670 0.01765 1.00000
N1 N 0.07279 0.13786 0.50042 1.00000
N2 N 0.69750 0.51881 0.38150 1.00000
