La2Nd3Au4
Alexandria ALEXAlex-ID: agm005683834 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_763_spg14
Nd2Au NdAu LaAu
2023-06-27 07:51:53.739235
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683834).
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 agm005683834
data_agm005683834
_cell_length_a 7.54874
_cell_length_b 8.96212
_cell_length_c 8.01557
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.45115
_cell_volume 508.09606
_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 0.55021 0.18547 0.32033 1.00000
La2 La 0.94979 0.81453 0.82033 1.00000
La3 La 0.44979 0.81453 0.67967 1.00000
La4 La 0.05021 0.18547 0.17967 1.00000
Nd1 Nd 0.00000 0.50000 0.50000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.73704 0.24271 0.83199 1.00000
Nd4 Nd 0.76296 0.75729 0.33199 1.00000
Nd5 Nd 0.26296 0.75729 0.16801 1.00000
Nd6 Nd 0.23704 0.24271 0.66801 1.00000
Au1 Au 0.83767 0.07181 0.53261 1.00000
Au2 Au 0.66233 0.92819 0.03261 1.00000
Au3 Au 0.16233 0.92819 0.46739 1.00000
Au4 Au 0.33767 0.07181 0.96739 1.00000
Au5 Au 0.86787 0.48413 0.13885 1.00000
Au6 Au 0.63213 0.51587 0.63885 1.00000
Au7 Au 0.13213 0.51587 0.86115 1.00000
Au8 Au 0.36787 0.48413 0.36115 1.00000
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