Na3NdAl4
Alexandria ALEXAlex-ID: agm012864489 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_560_spg12
NdAl3 Na Al
2024-05-30 03:43:19.611112
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012864489).
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 agm012864489
data_agm012864489
_cell_length_a 5.80826
_cell_length_b 5.80826
_cell_length_c 10.26690
_cell_angle_alpha 58.13973
_cell_angle_beta 58.13973
_cell_angle_gamma 42.91390
_cell_volume 194.23850
_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
Na1 Na 0.24762 0.24762 0.62356 1.00000
Na2 Na 0.75238 0.75238 0.37644 1.00000
Na3 Na 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.44876 0.44876 0.78051 1.00000
Al2 Al 0.23952 0.23952 0.09995 1.00000
Al3 Al 0.55124 0.55124 0.21949 1.00000
Al4 Al 0.76048 0.76048 0.90005 1.00000
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