Pr4I8Cl
Alexandria ALEXAlex-ID: agm097806955 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1197_spg8
Pr2I5 PrI2 PrCl3
2025-06-13 00:16:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097806955).
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 agm097806955
data_agm097806955
_cell_length_a 4.28757
_cell_length_b 12.04028
_cell_length_c 13.57220
_cell_angle_alpha 116.24438
_cell_angle_beta 89.98035
_cell_angle_gamma 90.02818
_cell_volume 628.42023
_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 0.19230 0.99620 0.11705 1.00000
Pr2 Pr 0.19203 0.66446 0.14535 1.00000
Pr3 Pr 0.19241 0.49923 0.54444 1.00000
Pr4 Pr 0.69207 0.78738 0.42584 1.00000
I1 I 0.69229 0.89843 0.24477 1.00000
I2 I 0.69203 0.45674 0.02610 1.00000
I3 I 0.69244 0.39511 0.65166 1.00000
I4 I 0.69242 0.72561 0.63833 1.00000
I5 I 0.19279 0.22914 0.34692 1.00000
I6 I 0.19198 0.55594 0.33024 1.00000
I7 I 0.19275 0.72570 0.93802 1.00000
I8 I 0.19213 0.99080 0.55627 1.00000
Cl1 Cl 0.69236 0.07526 0.03503 1.00000
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