PrNdAl4
Alexandria ALEXAlex-ID: agm013204699 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_600_spg12
PrAl2 NdAl2
2025-04-15 15:35:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013204699).
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 agm013204699
data_agm013204699
_cell_length_a 5.96266
_cell_length_b 5.96266
_cell_length_c 5.96266
_cell_angle_alpha 134.67153
_cell_angle_beta 100.91482
_cell_angle_gamma 96.17752
_cell_volume 138.95623
_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
Pr1 Pr 0.00000 0.50000 0.50000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.08446 0.83324 0.25122 1.00000
Al2 Al 0.41798 0.16676 0.25122 1.00000
Al3 Al 0.91554 0.16676 0.74878 1.00000
Al4 Al 0.58202 0.83324 0.74878 1.00000
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