Pr(CuI2)4
Alexandria ALEXAlex-ID: agm097477668 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1686_spg1
Cu3I4 PrI3 Cu
2025-06-14 00:07:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097477668).
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 agm097477668
data_agm097477668
_cell_length_a 4.18485
_cell_length_b 11.78016
_cell_length_c 12.17045
_cell_angle_alpha 66.05177
_cell_angle_beta 103.77680
_cell_angle_gamma 95.98462
_cell_volume 532.53587
_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 0.46988 0.98063 0.11489 1.00000
Cu1 Cu 0.90392 0.05410 0.73773 1.00000
Cu2 Cu 0.14025 0.62450 0.99670 1.00000
Cu3 Cu 0.67873 0.59723 0.57683 1.00000
Cu4 Cu 0.22092 0.96054 0.49169 1.00000
I1 I 0.09968 0.10068 0.24928 1.00000
I2 I 0.63844 0.49561 0.04027 1.00000
I3 I 0.72958 0.81791 0.56262 1.00000
I4 I 0.33219 0.12311 0.59252 1.00000
I5 I 0.98362 0.76533 0.23005 1.00000
I6 I 0.15532 0.47338 0.59558 1.00000
I7 I 0.88804 0.15073 0.90607 1.00000
I8 I 0.25941 0.85624 0.90577 1.00000
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