Li7Ac3Si4
Alexandria ALEXAlex-ID: agm005696600 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_55_spg12
Li17Si4 Li2Ac2Si3 LiAcSi
2023-06-29 16:49:05.073239
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696600).
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 agm005696600
data_agm005696600
_cell_length_a 4.70214
_cell_length_b 8.92652
_cell_length_c 8.94839
_cell_angle_alpha 58.66596
_cell_angle_beta 74.76748
_cell_angle_gamma 74.72925
_cell_volume 305.86275
_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 0.33485 0.81947 0.51082 1.00000
Li2 Li 0.51264 0.18112 0.79360 1.00000
Li3 Li 0.85726 0.34584 0.93964 1.00000
Li4 Li 0.66515 0.18053 0.48918 1.00000
Li5 Li 0.14274 0.65416 0.06036 1.00000
Li6 Li 0.00000 0.00000 0.00000 1.00000
Li7 Li 0.48736 0.81888 0.20640 1.00000
Ac1 Ac 0.27475 0.23009 0.22041 1.00000
Ac2 Ac 0.72525 0.76991 0.77959 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.63949 0.50748 0.21353 1.00000
Si2 Si 0.36051 0.49252 0.78647 1.00000
Si3 Si 0.86980 0.93896 0.32146 1.00000
Si4 Si 0.13020 0.06104 0.67854 1.00000
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