Pr3Be2Ir3
Alexandria ALEXAlex-ID: agm009974784 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_119_spg63
PrBe2Ir3 Pr5Ir3 Be2Ir
2024-03-03 02:28:52.222765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009974784).
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 agm009974784
data_agm009974784
_cell_length_a 5.84285
_cell_length_b 5.84285
_cell_length_c 14.18368
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 138.46152
_cell_volume 321.09386
_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 0.07791 0.92209 0.89190 1.00000
Pr2 Pr 0.92209 0.07791 0.39190 1.00000
Pr3 Pr 0.07791 0.92209 0.60810 1.00000
Pr4 Pr 0.92209 0.07791 0.10810 1.00000
Pr5 Pr 0.36504 0.63496 0.75000 1.00000
Pr6 Pr 0.63496 0.36504 0.25000 1.00000
Be1 Be 0.21512 0.78488 0.40348 1.00000
Be2 Be 0.78488 0.21512 0.90348 1.00000
Be3 Be 0.21512 0.78488 0.09652 1.00000
Be4 Be 0.78488 0.21512 0.59652 1.00000
Ir1 Ir 0.34045 0.65955 0.96142 1.00000
Ir2 Ir 0.65955 0.34045 0.46142 1.00000
Ir3 Ir 0.34045 0.65955 0.53858 1.00000
Ir4 Ir 0.65955 0.34045 0.03858 1.00000
Ir5 Ir 0.67378 0.32622 0.75000 1.00000
Ir6 Ir 0.32622 0.67378 0.25000 1.00000
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