La4ReAg
Alexandria ALEXAlex-ID: agm005806630 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
La3Ag La Re
2023-07-26 23:59:19.886352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806630).
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 agm005806630
data_agm005806630
_cell_length_a 6.40434
_cell_length_b 8.07303
_cell_length_c 8.07302
_cell_angle_alpha 111.68200
_cell_angle_beta 101.07879
_cell_angle_gamma 101.07884
_cell_volume 364.44289
_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 0.87765 0.63778 0.79012 1.00000
La2 La 0.05381 0.93338 0.27871 1.00000
La3 La 0.62235 0.20988 0.36222 1.00000
La4 La 0.44619 0.72129 0.06662 1.00000
La5 La 0.55381 0.27871 0.93338 1.00000
La6 La 0.37765 0.79012 0.63778 1.00000
La7 La 0.94619 0.06662 0.72129 1.00000
La8 La 0.12235 0.36222 0.20988 1.00000
Re1 Re 0.25000 0.00110 0.99890 1.00000
Re2 Re 0.75000 0.99890 0.00110 1.00000
Ag1 Ag 0.75000 0.62415 0.37585 1.00000
Ag2 Ag 0.25000 0.37585 0.62415 1.00000
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