LiPaAl11
Alexandria ALEXAlex-ID: agm005703672 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_5_spg12
PaAl4 LiAl19 LiAl
2023-06-29 14:43:40.752265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703672).
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 agm005703672
data_agm005703672
_cell_length_a 5.36301
_cell_length_b 7.01565
_cell_length_c 6.89323
_cell_angle_alpha 81.97786
_cell_angle_beta 67.10738
_cell_angle_gamma 68.97654
_cell_volume 223.02485
_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 0.50000 0.50000 0.00000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.29022 0.21745 0.21313 1.00000
Al2 Al 0.70978 0.78255 0.78687 1.00000
Al3 Al 0.49664 0.78255 0.21313 1.00000
Al4 Al 0.50336 0.21745 0.78687 1.00000
Al5 Al 0.35334 0.64623 0.64736 1.00000
Al6 Al 0.64666 0.35377 0.35264 1.00000
Al7 Al 0.99930 0.35377 0.64736 1.00000
Al8 Al 0.00070 0.64623 0.35264 1.00000
Al9 Al 0.00000 0.50000 0.00000 1.00000
Al10 Al 0.50000 0.00000 0.50000 1.00000
Al11 Al 0.00000 0.00000 0.50000 1.00000
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