LiAc5
Alexandria ALEXAlex-ID: agm005545709 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_238_spg8
Ac Li
2023-05-29 05:25:20.198240
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545709).
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 agm005545709
data_agm005545709
_cell_length_a 4.07462
_cell_length_b 9.76571
_cell_length_c 7.07659
_cell_angle_alpha 67.56244
_cell_angle_beta 73.26807
_cell_angle_gamma 77.95858
_cell_volume 247.69627
_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 0.69355 0.11217 0.50072 1.00000
Ac1 Ac 0.05214 0.96624 0.92949 1.00000
Ac2 Ac 0.69522 0.61027 0.99928 1.00000
Ac3 Ac 0.33733 0.25438 0.07095 1.00000
Ac4 Ac 0.36648 0.80460 0.46244 1.00000
Ac5 Ac 0.02194 0.41900 0.53711 1.00000
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