La2AgN
Alexandria ALEXAlex-ID: agm005688213 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_802_spg12
LaAg La4N3 LaAg2
2023-07-13 04:04:46.696424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688213).
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 agm005688213
data_agm005688213
_cell_length_a 5.26193
_cell_length_b 6.87833
_cell_length_c 6.87833
_cell_angle_alpha 66.79681
_cell_angle_beta 67.51133
_cell_angle_gamma 67.51133
_cell_volume 203.38489
_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 0.43625 0.85450 0.27300 1.00000
La2 La 0.56375 0.22700 0.64550 1.00000
La3 La 0.85901 0.58880 0.69317 1.00000
La4 La 0.14099 0.80683 0.91120 1.00000
Ag1 Ag 0.82495 0.20060 0.14949 1.00000
Ag2 Ag 0.17505 0.35051 0.29940 1.00000
N1 N 0.37112 0.61496 0.64279 1.00000
N2 N 0.62888 0.85721 0.88504 1.00000
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