LiAcGe
Alexandria ALEXAlex-ID: agm005589331 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
LiAcGe
2023-06-17 18:43:34.018666
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005589331).
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 agm005589331
data_agm005589331
_cell_length_a 4.60760
_cell_length_b 7.72899
_cell_length_c 13.18658
_cell_angle_alpha 89.57870
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 469.58878
_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 0.25000 0.00176 0.08843 1.00000
Li2 Li 0.25000 0.85537 0.45902 1.00000
Li3 Li 0.75000 0.65850 0.80090 1.00000
Li4 Li 0.75000 0.14463 0.54098 1.00000
Li5 Li 0.25000 0.34150 0.19910 1.00000
Li6 Li 0.75000 0.99824 0.91157 1.00000
Ac1 Ac 0.75000 0.51603 0.37328 1.00000
Ac2 Ac 0.25000 0.97976 0.69785 1.00000
Ac3 Ac 0.75000 0.02024 0.30215 1.00000
Ac4 Ac 0.75000 0.66241 0.07882 1.00000
Ac5 Ac 0.25000 0.48397 0.62672 1.00000
Ac6 Ac 0.25000 0.33759 0.92118 1.00000
Ge1 Ge 0.25000 0.76266 0.90647 1.00000
Ge2 Ge 0.75000 0.26779 0.75146 1.00000
Ge3 Ge 0.75000 0.77420 0.56693 1.00000
Ge4 Ge 0.75000 0.23734 0.09353 1.00000
Ge5 Ge 0.25000 0.22580 0.43307 1.00000
Ge6 Ge 0.25000 0.73221 0.24854 1.00000
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