Pr8Si3Cl4
Alexandria ALEXAlex-ID: agm005705286 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
Pr3Si2 Pr3SiCl3 Pr
2023-06-29 18:53:19.043561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705286).
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 agm005705286
data_agm005705286
_cell_length_a 8.44906
_cell_length_b 8.44906
_cell_length_c 8.94934
_cell_angle_alpha 61.83246
_cell_angle_beta 61.83246
_cell_angle_gamma 60.00002
_cell_volume 463.85562
_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 0.23718 0.23718 0.28846 1.00000
Pr2 Pr 0.22481 0.74647 0.28224 1.00000
Pr3 Pr 0.74647 0.74647 0.28224 1.00000
Pr4 Pr 0.74647 0.22481 0.28224 1.00000
Pr5 Pr 0.76282 0.76282 0.71154 1.00000
Pr6 Pr 0.77519 0.25353 0.71776 1.00000
Pr7 Pr 0.25353 0.25353 0.71776 1.00000
Pr8 Pr 0.25353 0.77519 0.71776 1.00000
Si1 Si 0.50000 0.00000 0.50000 1.00000
Si2 Si 0.00000 0.00000 0.50000 1.00000
Si3 Si 0.00000 0.50000 0.50000 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
Cl2 Cl 0.36073 0.36073 0.91782 1.00000
Cl3 Cl 0.50000 0.50000 0.50000 1.00000
Cl4 Cl 0.63927 0.63927 0.08218 1.00000
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