PrYCl3
Alexandria ALEXAlex-ID: agm005907985 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5190_spg12
Pr2Cl3 Y2Cl3
2023-07-03 08:34:27.423347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005907985).
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 agm005907985
data_agm005907985
_cell_length_a 3.92486
_cell_length_b 8.21632
_cell_length_c 9.97370
_cell_angle_alpha 71.82413
_cell_angle_beta 78.65241
_cell_angle_gamma 76.18158
_cell_volume 294.12159
_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 0.14079 0.01028 0.70815 1.00000
Pr2 Pr 0.85921 0.98972 0.29185 1.00000
Y1 Y 0.41392 0.21949 0.95267 1.00000
Y2 Y 0.58608 0.78051 0.04733 1.00000
Cl1 Cl 0.65579 0.19605 0.49236 1.00000
Cl2 Cl 0.34421 0.80395 0.50764 1.00000
Cl3 Cl 0.22326 0.66507 0.88841 1.00000
Cl4 Cl 0.77674 0.33493 0.11159 1.00000
Cl5 Cl 0.94999 0.34693 0.75309 1.00000
Cl6 Cl 0.05001 0.65307 0.24691 1.00000
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