Pr4Se2Cl3
Alexandria ALEXAlex-ID: agm005693175 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Pr2Cl3 PrSe
2023-06-26 20:49:06.590301
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693175).
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 agm005693175
data_agm005693175
_cell_length_a 4.25930
_cell_length_b 4.25930
_cell_length_c 16.65171
_cell_angle_alpha 90.05952
_cell_angle_beta 89.94048
_cell_angle_gamma 120.00429
_cell_volume 261.60566
_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 0.33363 0.66637 0.89236 1.00000
Pr2 Pr 0.99921 0.00079 0.29791 1.00000
Pr3 Pr 0.00079 0.99921 0.70209 1.00000
Pr4 Pr 0.66637 0.33363 0.10764 1.00000
Se1 Se 0.66721 0.33279 0.79739 1.00000
Se2 Se 0.33279 0.66721 0.20261 1.00000
Cl1 Cl 0.66564 0.33436 0.39607 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
Cl3 Cl 0.33436 0.66564 0.60393 1.00000
Get direct link