Pr6PdRh2I3
Alexandria ALEXAlex-ID: agm034293344 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Pr7Pd3 PrI2 Pr2RhI PrPd
2024-12-11 23:03:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034293344).
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 agm034293344
data_agm034293344
_cell_length_a 10.45197
_cell_length_b 10.45197
_cell_length_c 9.56062
_cell_angle_alpha 68.16677
_cell_angle_beta 111.83323
_cell_angle_gamma 156.63528
_cell_volume 383.17314
_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 0.34299 0.65701 0.37440 1.00000
Pr2 Pr 0.68136 0.31864 0.04781 1.00000
Pr3 Pr 0.65701 0.34299 0.62560 1.00000
Pr4 Pr 0.01713 0.98287 0.72117 1.00000
Pr5 Pr 0.98287 0.01713 0.27883 1.00000
Pr6 Pr 0.31864 0.68136 0.95219 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.83315 0.16685 0.16648 1.00000
Rh2 Rh 0.16685 0.83315 0.83352 1.00000
I1 I 0.50000 0.50000 0.00000 1.00000
I2 I 0.83446 0.16554 0.66573 1.00000
I3 I 0.16554 0.83446 0.33427 1.00000
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