LaNd(MgAg2)2
Alexandria ALEXAlex-ID: agm034654069 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
LaMgAg2 NdMgAg2
2024-12-05 10:39:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034654069).
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
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# CIF generated by HEAS from Alexandria entry agm034654069
data_agm034654069
_cell_length_a 8.72834
_cell_length_b 8.72834
_cell_length_c 8.72834
_cell_angle_alpha 34.17520
_cell_angle_beta 34.17520
_cell_angle_gamma 34.17520
_cell_volume 187.08187
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Mg1 Mg 0.24919 0.24919 0.24919 1.00000
Mg2 Mg 0.75081 0.75081 0.75081 1.00000
Ag1 Ag 0.62668 0.62668 0.62668 1.00000
Ag2 Ag 0.12917 0.12917 0.12917 1.00000
Ag3 Ag 0.87083 0.87083 0.87083 1.00000
Ag4 Ag 0.37332 0.37332 0.37332 1.00000
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