Pr2CuF8
Alexandria ALEXAlex-ID: agm005955893 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_19_spg12
CuF2 PrF3
2023-10-15 15:21:58.781628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005955893).
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 agm005955893
data_agm005955893
_cell_length_a 4.02251
_cell_length_b 5.31308
_cell_length_c 7.53973
_cell_angle_alpha 113.68695
_cell_angle_beta 105.47058
_cell_angle_gamma 90.00091
_cell_volume 141.16394
_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 0.16421 0.66344 0.32842 1.00000
Pr2 Pr 0.83579 0.33656 0.67158 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
F1 F 0.59208 0.37117 0.18416 1.00000
F2 F 0.33252 0.05952 0.66505 1.00000
F3 F 0.22022 0.30864 0.44044 1.00000
F4 F 0.02285 0.78118 0.04568 1.00000
F5 F 0.77978 0.69136 0.55956 1.00000
F6 F 0.66748 0.94048 0.33495 1.00000
F7 F 0.40792 0.62883 0.81584 1.00000
F8 F 0.97715 0.21882 0.95432 1.00000
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