La2In2Ag
Alexandria ALEXAlex-ID: agm003403263 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_33_spg12
LaIn LaInAg
2022-02-09 17:12:49.669765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403263).
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 agm003403263
data_agm003403263
_cell_length_a 4.89991
_cell_length_b 6.22730
_cell_length_c 10.70751
_cell_angle_alpha 86.80625
_cell_angle_beta 76.77315
_cell_angle_gamma 66.83244
_cell_volume 292.19005
_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 0.68545 0.29524 0.33387 1.00000
La2 La 0.92757 0.25196 0.89290 1.00000
La3 La 0.31455 0.70476 0.66613 1.00000
La4 La 0.07243 0.74804 0.10710 1.00000
In1 In 0.07701 0.28020 0.56578 1.00000
In2 In 0.64270 0.83033 0.88427 1.00000
In3 In 0.92299 0.71980 0.43422 1.00000
In4 In 0.35730 0.16967 0.11573 1.00000
Ag1 Ag 0.62147 0.10192 0.65514 1.00000
Ag2 Ag 0.37853 0.89808 0.34486 1.00000
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