Li2Ac3Si4
Alexandria ALEXAlex-ID: agm003338166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_277_spg12
Li2Ac2Si3 LiAc2Si3 Ac3Si2
2022-01-29 19:36:15.685925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003338166).
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 agm003338166
data_agm003338166
_cell_length_a 4.40887
_cell_length_b 6.20442
_cell_length_c 8.76081
_cell_angle_alpha 99.92544
_cell_angle_beta 90.00000
_cell_angle_gamma 110.81186
_cell_volume 220.16926
_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 0.61697 0.23394 0.28562 1.00000
Li2 Li 0.38303 0.76606 0.71438 1.00000
Ac1 Ac 0.66096 0.32192 0.67058 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.33904 0.67808 0.32942 1.00000
Si1 Si 0.71884 0.43767 0.04953 1.00000
Si2 Si 0.28116 0.56233 0.95047 1.00000
Si3 Si 0.94242 0.88484 0.60439 1.00000
Si4 Si 0.05758 0.11516 0.39561 1.00000
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