Pr3In7Ir4
Alexandria ALEXAlex-ID: agm005703241 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
PrInIr PrIn5Ir PrIr2
2023-06-29 16:30:34.682436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703241).
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 agm005703241
data_agm005703241
_cell_length_a 4.50765
_cell_length_b 8.64446
_cell_length_c 9.23133
_cell_angle_alpha 69.01403
_cell_angle_beta 75.86844
_cell_angle_gamma 74.88693
_cell_volume 319.66513
_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 0.30554 0.18178 0.20714 1.00000
Pr2 Pr 0.69446 0.81822 0.79286 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
In1 In 0.31656 0.84061 0.52628 1.00000
In2 In 0.49388 0.22748 0.78475 1.00000
In3 In 0.83675 0.39772 0.92878 1.00000
In4 In 0.68344 0.15939 0.47372 1.00000
In5 In 0.16325 0.60228 0.07122 1.00000
In6 In 0.00000 0.00000 0.00000 1.00000
In7 In 0.50612 0.77252 0.21525 1.00000
Ir1 Ir 0.66472 0.44600 0.22455 1.00000
Ir2 Ir 0.33528 0.55400 0.77545 1.00000
Ir3 Ir 0.88634 0.89518 0.33214 1.00000
Ir4 Ir 0.11366 0.10482 0.66786 1.00000
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