PrZn2F6
Alexandria ALEXAlex-ID: agm097069740 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_4736_spg139
ZnF2 Zn PrF3
2025-04-06 22:45:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097069740).
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 agm097069740
data_agm097069740
_cell_length_a 4.59528
_cell_length_b 4.59528
_cell_length_c 8.42486
_cell_angle_alpha 90.00181
_cell_angle_beta 89.99819
_cell_angle_gamma 89.79694
_cell_volume 177.90326
_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 0.53329 0.46671 0.74936 1.00000
Zn1 Zn 0.60327 0.39673 0.24942 1.00000
Zn2 Zn 0.09217 0.90783 0.24925 1.00000
F1 F 0.54311 0.45689 0.02408 1.00000
F2 F 0.54274 0.45726 0.47467 1.00000
F3 F 0.03324 0.47483 0.74939 1.00000
F4 F 0.05225 0.44978 0.24946 1.00000
F5 F 0.52517 0.96676 0.74939 1.00000
F6 F 0.55022 0.94775 0.24946 1.00000
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