Pr2Sc4F
Alexandria ALEXAlex-ID: agm096567902 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_4457_spg2
Pr Sc PrF3
2025-04-10 18:32:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096567902).
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 agm096567902
data_agm096567902
_cell_length_a 3.40010
_cell_length_b 5.68466
_cell_length_c 9.57155
_cell_angle_alpha 90.01948
_cell_angle_beta 90.00068
_cell_angle_gamma 89.98483
_cell_volume 185.00294
_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 0.99977 0.92603 0.00037 1.00000
Pr2 Pr 0.00033 0.46150 0.50000 1.00000
Sc1 Sc 0.49936 0.47127 0.82254 1.00000
Sc2 Sc 0.50113 0.95611 0.33787 1.00000
Sc3 Sc 0.50073 0.95674 0.66208 1.00000
Sc4 Sc 0.49928 0.47017 0.17748 1.00000
F1 F 0.49940 0.25817 0.99965 1.00000
Get direct link