La4Nd3Y2
Alexandria ALEXAlex-ID: agm005586743 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_284_spg2
LaNd LaY2
2023-06-29 06:51:00.980457
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005586743).
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 agm005586743
data_agm005586743
_cell_length_a 6.37593
_cell_length_b 6.37355
_cell_length_c 13.22979
_cell_angle_alpha 118.43170
_cell_angle_beta 103.76779
_cell_angle_gamma 120.17587
_cell_volume 318.11089
_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 0.66493 0.33364 0.99976 1.00000
La2 La 0.33507 0.66636 0.00024 1.00000
La3 La 0.88838 0.77692 0.66555 1.00000
La4 La 0.11162 0.22308 0.33445 1.00000
Nd1 Nd 0.55551 0.11061 0.66566 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Nd3 Nd 0.44449 0.88939 0.33434 1.00000
Y1 Y 0.78032 0.55985 0.33526 1.00000
Y2 Y 0.21968 0.44015 0.66474 1.00000
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