Pr2SF4
Alexandria ALEXAlex-ID: agm096139863 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6185_spg38
PrSF PrF3
2025-04-10 18:12:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096139863).
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
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# CIF generated by HEAS from Alexandria entry agm096139863
data_agm096139863
_cell_length_a 4.02611
_cell_length_b 4.42480
_cell_length_c 7.37618
_cell_angle_alpha 83.71187
_cell_angle_beta 89.95536
_cell_angle_gamma 90.03701
_cell_volume 130.61417
_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 0.07082 0.86704 0.93114 1.00000
Pr2 Pr 0.57153 0.01540 0.41920 1.00000
S1 S 0.57247 0.33687 0.04481 1.00000
F1 F 0.57127 0.50043 0.49408 1.00000
F2 F 0.07129 0.05310 0.58877 1.00000
F3 F 0.07170 0.85810 0.25515 1.00000
F4 F 0.57091 0.86906 0.76685 1.00000
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