Pr5Ag
Alexandria ALEXAlex-ID: agm014726455 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_192_spg2
PrAg Pr
2025-04-13 12:12:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014726455).
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 agm014726455
data_agm014726455
_cell_length_a 9.46356
_cell_length_b 9.46356
_cell_length_c 6.45432
_cell_angle_alpha 85.48279
_cell_angle_beta 94.51721
_cell_angle_gamma 136.59288
_cell_volume 395.78795
_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 0.22345 0.55290 0.41314 1.00000
Pr2 Pr 0.44710 0.77655 0.91314 1.00000
Pr3 Pr 0.55290 0.22345 0.08686 1.00000
Pr4 Pr 0.77655 0.44710 0.58686 1.00000
Pr5 Pr 0.30092 0.30092 0.75000 1.00000
Pr6 Pr 0.69908 0.69908 0.25000 1.00000
Pr7 Pr 0.95159 0.27233 0.95242 1.00000
Pr8 Pr 0.27233 0.95159 0.54758 1.00000
Pr9 Pr 0.72767 0.04841 0.45242 1.00000
Pr10 Pr 0.04841 0.72767 0.04758 1.00000
Ag1 Ag 0.20355 0.20355 0.25000 1.00000
Ag2 Ag 0.79645 0.79645 0.75000 1.00000
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