LaCuAg2
Alexandria ALEXAlex-ID: agm069104891 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
LaCu5Ag LaAg3 LaAg2
2025-03-01 03:42:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069104891).
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 agm069104891
data_agm069104891
_cell_length_a 5.53701
_cell_length_b 7.73935
_cell_length_c 15.83361
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 678.51509
_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 0.45727 0.25000 0.36052 1.00000
La2 La 0.95727 0.75000 0.13948 1.00000
La3 La 0.54273 0.75000 0.63948 1.00000
La4 La 0.04273 0.25000 0.86052 1.00000
La5 La 0.73655 0.25000 0.10607 1.00000
La6 La 0.23655 0.75000 0.39393 1.00000
La7 La 0.26345 0.75000 0.89393 1.00000
La8 La 0.76345 0.25000 0.60607 1.00000
Cu1 Cu 0.22350 0.25000 0.18463 1.00000
Cu2 Cu 0.72350 0.75000 0.31537 1.00000
Cu3 Cu 0.77650 0.75000 0.81537 1.00000
Cu4 Cu 0.27650 0.25000 0.68463 1.00000
Cu5 Cu 0.97125 0.25000 0.43109 1.00000
Cu6 Cu 0.47125 0.75000 0.06891 1.00000
Cu7 Cu 0.02875 0.75000 0.56891 1.00000
Cu8 Cu 0.52875 0.25000 0.93109 1.00000
Ag1 Ag 0.93811 0.05713 0.28681 1.00000
Ag2 Ag 0.43811 0.94287 0.21319 1.00000
Ag3 Ag 0.06189 0.55713 0.71319 1.00000
Ag4 Ag 0.56189 0.44287 0.78681 1.00000
Ag5 Ag 0.06189 0.94287 0.71319 1.00000
Ag6 Ag 0.56189 0.05713 0.78681 1.00000
Ag7 Ag 0.93811 0.44287 0.28681 1.00000
Ag8 Ag 0.43811 0.55713 0.21319 1.00000
Ag9 Ag 0.74365 0.55774 0.46294 1.00000
Ag10 Ag 0.24365 0.44226 0.03706 1.00000
Ag11 Ag 0.25635 0.05774 0.53706 1.00000
Ag12 Ag 0.75635 0.94226 0.96294 1.00000
Ag13 Ag 0.25635 0.44226 0.53706 1.00000
Ag14 Ag 0.75635 0.55774 0.96294 1.00000
Ag15 Ag 0.74365 0.94226 0.46294 1.00000
Ag16 Ag 0.24365 0.05774 0.03706 1.00000
