La2NdAg3
Alexandria ALEXAlex-ID: agm017162003 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
NdAg LaAg
2024-11-09 10:00:42.313395
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017162003).
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 agm017162003
data_agm017162003
_cell_length_a 9.31240
_cell_length_b 9.31240
_cell_length_c 9.31240
_cell_angle_alpha 146.38937
_cell_angle_beta 131.83089
_cell_angle_gamma 60.01635
_cell_volume 330.04136
_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 0.08210 0.83210 0.25000 1.00000
La2 La 0.75270 0.50270 0.25000 1.00000
La3 La 0.91790 0.16790 0.75000 1.00000
La4 La 0.24730 0.49730 0.75000 1.00000
Nd1 Nd 0.41542 0.16542 0.25000 1.00000
Nd2 Nd 0.58458 0.83458 0.75000 1.00000
Ag1 Ag 0.81895 0.33139 0.48756 1.00000
Ag2 Ag 0.65617 0.66861 0.98756 1.00000
Ag3 Ag 0.50000 0.00000 0.50000 1.00000
Ag4 Ag 0.18105 0.66861 0.51244 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
Ag6 Ag 0.34383 0.33139 0.01244 1.00000
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