Pr2BIr2
Alexandria ALEXAlex-ID: agm003400545 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1401_spg12
Pr(BIr)2 Pr5Ir3 PrIr2
2022-02-09 19:26:48.662973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003400545).
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 agm003400545
data_agm003400545
_cell_length_a 3.81040
_cell_length_b 6.02779
_cell_length_c 9.89613
_cell_angle_alpha 76.74865
_cell_angle_beta 78.90012
_cell_angle_gamma 71.57459
_cell_volume 208.12139
_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 0.70559 0.23278 0.35603 1.00000
Pr2 Pr 0.89953 0.29230 0.90864 1.00000
Pr3 Pr 0.29441 0.76722 0.64397 1.00000
Pr4 Pr 0.10047 0.70770 0.09136 1.00000
B1 B 0.56803 0.18495 0.67899 1.00000
B2 B 0.43197 0.81505 0.32101 1.00000
Ir1 Ir 0.04589 0.30870 0.59952 1.00000
Ir2 Ir 0.62344 0.89879 0.85433 1.00000
Ir3 Ir 0.95411 0.69130 0.40048 1.00000
Ir4 Ir 0.37656 0.10121 0.14567 1.00000
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