Ba5Li5Ag2
Alexandria ALEXAlex-ID: agm005651740 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
Li3Ag Ba3Ag2 Ba
2023-06-19 02:35:16.768823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651740).
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 agm005651740
data_agm005651740
_cell_length_a 4.82141
_cell_length_b 9.52996
_cell_length_c 10.63946
_cell_angle_alpha 87.54358
_cell_angle_beta 76.90410
_cell_angle_gamma 75.34721
_cell_volume 460.60565
_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
Ba1 Ba 0.50000 0.50000 0.50000 1.00000
Ba2 Ba 0.38160 0.31492 0.92188 1.00000
Ba3 Ba 0.29624 0.08136 0.32616 1.00000
Ba4 Ba 0.70376 0.91864 0.67384 1.00000
Ba5 Ba 0.61840 0.68508 0.07812 1.00000
Li1 Li 0.95564 0.75528 0.33345 1.00000
Li2 Li 0.24952 0.68485 0.81612 1.00000
Li3 Li 0.75048 0.31515 0.18388 1.00000
Li4 Li 0.04436 0.24472 0.66655 1.00000
Li5 Li 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.85031 0.53976 0.75962 1.00000
Ag2 Ag 0.14969 0.46024 0.24038 1.00000
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