LaPrAu4
Alexandria ALEXAlex-ID: agm014711352 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_301_spg65
LaPrAu4
2024-09-14 00:09:38.187992
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014711352).
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 agm014711352
data_agm014711352
_cell_length_a 9.12672
_cell_length_b 9.12672
_cell_length_c 4.75069
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 132.36625
_cell_volume 292.37766
_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
La1 La 0.87715 0.12285 0.25000 1.00000
La2 La 0.12285 0.87715 0.75000 1.00000
Pr1 Pr 0.37239 0.62761 0.25000 1.00000
Pr2 Pr 0.62761 0.37239 0.75000 1.00000
Au1 Au 0.69823 0.78265 0.75000 1.00000
Au2 Au 0.54076 0.95629 0.75000 1.00000
Au3 Au 0.78265 0.69823 0.25000 1.00000
Au4 Au 0.95629 0.54076 0.25000 1.00000
Au5 Au 0.30177 0.21735 0.25000 1.00000
Au6 Au 0.21735 0.30177 0.75000 1.00000
Au7 Au 0.45924 0.04371 0.25000 1.00000
Au8 Au 0.04371 0.45924 0.75000 1.00000
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