La3(NiAg2)2
Alexandria ALEXAlex-ID: agm005672591 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_664_spg12
LaAg3 LaAg2 La3Ni4
2023-06-27 16:28:37.319318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672591).
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 agm005672591
data_agm005672591
_cell_length_a 4.27734
_cell_length_b 6.21602
_cell_length_c 8.81615
_cell_angle_alpha 74.46148
_cell_angle_beta 75.96081
_cell_angle_gamma 69.87568
_cell_volume 209.09733
_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 0.31172 0.74622 0.63035 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.68828 0.25378 0.36965 1.00000
Ni1 Ni 0.38840 0.95508 0.26813 1.00000
Ni2 Ni 0.61160 0.04492 0.73187 1.00000
Ag1 Ag 0.26550 0.38423 0.08478 1.00000
Ag2 Ag 0.73450 0.61577 0.91522 1.00000
Ag3 Ag 0.01573 0.32060 0.64794 1.00000
Ag4 Ag 0.98427 0.67940 0.35206 1.00000
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