Nd3Al8Ga3
Alexandria ALEXAlex-ID: agm003376563 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
NdAl3 Al19Ga NdAlGa2
2022-02-08 23:24:47.366465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376563).
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
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# CIF generated by HEAS from Alexandria entry agm003376563
data_agm003376563
_cell_length_a 4.37798
_cell_length_b 8.50695
_cell_length_c 8.50695
_cell_angle_alpha 73.07075
_cell_angle_beta 75.08903
_cell_angle_gamma 75.08903
_cell_volume 287.13326
_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
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.82181 0.17819 0.17819 1.00000
Nd3 Nd 0.17819 0.82181 0.82181 1.00000
Al1 Al 0.64025 0.08820 0.63130 1.00000
Al2 Al 0.35975 0.91180 0.36870 1.00000
Al3 Al 0.64025 0.63130 0.08820 1.00000
Al4 Al 0.35975 0.36870 0.91180 1.00000
Al5 Al 0.83414 0.79469 0.53703 1.00000
Al6 Al 0.16586 0.20531 0.46297 1.00000
Al7 Al 0.83414 0.53703 0.79469 1.00000
Al8 Al 0.16586 0.46297 0.20531 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.77864 0.22136 1.00000
Ga3 Ga 0.00000 0.22136 0.77864 1.00000
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