Pr3CuIr2
Alexandria ALEXAlex-ID: agm005745337 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
Pr5Ir3 Pr2CuIr PrIr2
2023-08-17 16:48:33.588124
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005745337).
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 agm005745337
data_agm005745337
_cell_length_a 4.20617
_cell_length_b 11.75928
_cell_length_c 11.81758
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 584.51627
_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 0.25000 0.37645 0.05492 1.00000
Pr2 Pr 0.75000 0.62355 0.94508 1.00000
Pr3 Pr 0.75000 0.87645 0.44508 1.00000
Pr4 Pr 0.25000 0.12355 0.55492 1.00000
Pr5 Pr 0.25000 0.68754 0.20171 1.00000
Pr6 Pr 0.75000 0.31246 0.79829 1.00000
Pr7 Pr 0.75000 0.18754 0.29829 1.00000
Pr8 Pr 0.25000 0.81246 0.70171 1.00000
Pr9 Pr 0.25000 0.43705 0.37892 1.00000
Pr10 Pr 0.75000 0.56295 0.62108 1.00000
Pr11 Pr 0.75000 0.93705 0.12108 1.00000
Pr12 Pr 0.25000 0.06295 0.87892 1.00000
Cu1 Cu 0.25000 0.12527 0.12855 1.00000
Cu2 Cu 0.75000 0.87473 0.87145 1.00000
Cu3 Cu 0.75000 0.62527 0.37145 1.00000
Cu4 Cu 0.25000 0.37473 0.62855 1.00000
Ir1 Ir 0.25000 0.68329 0.48068 1.00000
Ir2 Ir 0.75000 0.31671 0.51932 1.00000
Ir3 Ir 0.75000 0.18329 0.01932 1.00000
Ir4 Ir 0.25000 0.81671 0.98068 1.00000
Ir5 Ir 0.25000 0.01176 0.31876 1.00000
Ir6 Ir 0.75000 0.98824 0.68124 1.00000
Ir7 Ir 0.75000 0.51176 0.18124 1.00000
Ir8 Ir 0.25000 0.48824 0.81876 1.00000
