Li8NdAl4
Alexandria ALEXAlex-ID: agm003672353 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
Li2Al NdAl2 Li
2022-04-20 21:59:17.312215
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672353).
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 agm003672353
data_agm003672353
_cell_length_a 5.49445
_cell_length_b 7.17274
_cell_length_c 7.17274
_cell_angle_alpha 81.56451
_cell_angle_beta 67.47981
_cell_angle_gamma 67.47981
_cell_volume 241.21145
_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 1.00000 0.34738 0.65262 1.00000
Li2 Li 0.00000 0.65262 0.34738 1.00000
Li3 Li 0.34738 0.65262 0.65262 1.00000
Li4 Li 0.65262 0.34738 0.34738 1.00000
Li5 Li 0.50000 0.78041 0.21959 1.00000
Li6 Li 0.50000 0.21959 0.78041 1.00000
Li7 Li 0.28041 0.21959 0.21959 1.00000
Li8 Li 0.71959 0.78041 0.78041 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.50000 0.00000 0.50000 1.00000
Al3 Al 0.00000 0.50000 0.00000 1.00000
Al4 Al 0.50000 0.50000 0.00000 1.00000
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