Pr8ReCl6
Alexandria ALEXAlex-ID: agm072290477 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_91_spg148
Pr2Cl3 Pr Re
2024-10-05 19:17:23.124243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072290477).
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 agm072290477
data_agm072290477
_cell_length_a 7.41946
_cell_length_b 7.71581
_cell_length_c 8.55328
_cell_angle_alpha 76.69110
_cell_angle_beta 83.51808
_cell_angle_gamma 75.54114
_cell_volume 460.61031
_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 0.90654 0.59579 0.76362 1.00000
Pr2 Pr 0.09346 0.40421 0.23638 1.00000
Pr3 Pr 0.30386 0.70633 0.91284 1.00000
Pr4 Pr 0.69915 0.81345 0.09207 1.00000
Pr5 Pr 0.88187 0.11799 0.68638 1.00000
Pr6 Pr 0.69614 0.29367 0.08716 1.00000
Pr7 Pr 0.30085 0.18655 0.90793 1.00000
Pr8 Pr 0.11813 0.88201 0.31362 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.83569 0.67124 0.41031 1.00000
Cl2 Cl 0.58009 0.43683 0.73351 1.00000
Cl3 Cl 0.58756 0.91586 0.73420 1.00000
Cl4 Cl 0.16431 0.32876 0.58969 1.00000
Cl5 Cl 0.41991 0.56317 0.26649 1.00000
Cl6 Cl 0.41244 0.08414 0.26580 1.00000
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