Li9Ca3Ag2
Alexandria ALEXAlex-ID: agm005603560 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_127_spg71
Li4Ca5Ag4 Li2Ca Li
2023-06-14 07:00:35.224081
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603560).
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 agm005603560
data_agm005603560
_cell_length_a 4.69176
_cell_length_b 8.76566
_cell_length_c 8.76566
_cell_angle_alpha 73.10653
_cell_angle_beta 74.47720
_cell_angle_gamma 74.47721
_cell_volume 325.23759
_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 0.00000 0.50000 0.50000 1.00000
Li2 Li 0.67424 0.97045 0.68107 1.00000
Li3 Li 0.32576 0.02955 0.31893 1.00000
Li4 Li 0.67424 0.68107 0.97045 1.00000
Li5 Li 0.32576 0.31893 0.02955 1.00000
Li6 Li 0.88269 0.84118 0.39344 1.00000
Li7 Li 0.11731 0.15882 0.60656 1.00000
Li8 Li 0.88269 0.39344 0.84118 1.00000
Li9 Li 0.11731 0.60656 0.15882 1.00000
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ca2 Ca 0.67751 0.32249 0.32249 1.00000
Ca3 Ca 0.32249 0.67751 0.67751 1.00000
Ag1 Ag 0.50000 0.28537 0.71463 1.00000
Ag2 Ag 0.50000 0.71463 0.28537 1.00000
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