Li6CaAg6
Alexandria ALEXAlex-ID: agm006092018 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_49_spg71
Li8Ag5 CaAg LiAg
2023-08-07 18:50:51.172210
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006092018).
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 agm006092018
data_agm006092018
_cell_length_a 5.60795
_cell_length_b 7.21189
_cell_length_c 7.21189
_cell_angle_alpha 77.32979
_cell_angle_beta 67.12022
_cell_angle_gamma 67.12021
_cell_volume 246.78563
_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
Li1 Li 0.35611 0.64389 0.64389 1.00000
Li2 Li 0.64389 0.35611 0.35611 1.00000
Li3 Li 1.00000 0.34550 0.65450 1.00000
Li4 Li 0.00000 0.65450 0.34550 1.00000
Li5 Li 0.29690 0.20310 0.20310 1.00000
Li6 Li 0.70310 0.79690 0.79690 1.00000
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.50000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.00000 1.00000
Ag3 Ag 0.00000 0.00000 0.50000 1.00000
Ag4 Ag 0.50000 0.00000 0.50000 1.00000
Ag5 Ag 0.50000 0.78194 0.21806 1.00000
Ag6 Ag 0.50000 0.21806 0.78194 1.00000
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