La5Nd3Ir
Alexandria ALEXAlex-ID: agm072348906 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1371_spg38
La3Nd5 LaNd La7Ir3
2024-09-24 14:03:42.874580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072348906).
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 agm072348906
data_agm072348906
_cell_length_a 4.94985
_cell_length_b 5.53457
_cell_length_c 11.33628
_cell_angle_alpha 82.60064
_cell_angle_beta 89.99503
_cell_angle_gamma 90.00045
_cell_volume 307.97448
_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 0.01408 0.54117 0.57644 1.00000
La2 La 0.51400 0.48295 0.80468 1.00000
La3 La 0.51422 0.57687 0.33166 1.00000
La4 La 0.01401 0.95617 0.82068 1.00000
La5 La 0.01428 0.10224 0.34656 1.00000
Nd1 Nd 0.51409 0.92538 0.06109 1.00000
Nd2 Nd 0.51415 0.02654 0.58946 1.00000
Nd3 Nd 0.01403 0.40717 0.04324 1.00000
Ir1 Ir 0.01418 0.75429 0.19938 1.00000
Get direct link