Zn(OF)2
Alexandria ALEXAlex-ID: agm005507558 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2185_spg2
Zn(OF)2
2023-03-20 13:20:31.872233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507558).
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 agm005507558
data_agm005507558
_cell_length_a 3.10253
_cell_length_b 6.65688
_cell_length_c 8.50226
_cell_angle_alpha 106.30803
_cell_angle_beta 96.89941
_cell_angle_gamma 96.14012
_cell_volume 165.47922
_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
Zn1 Zn 0.33503 0.14420 0.15898 1.00000
Zn2 Zn 0.66497 0.85580 0.84102 1.00000
O1 O 0.46813 0.69304 0.35940 1.00000
O2 O 0.48131 0.55977 0.22669 1.00000
O3 O 0.53187 0.30696 0.64060 1.00000
O4 O 0.51869 0.44023 0.77331 1.00000
F1 F 0.89063 0.17724 0.30545 1.00000
F2 F 0.78692 0.16584 0.99310 1.00000
F3 F 0.10937 0.82276 0.69455 1.00000
F4 F 0.21308 0.83416 0.00690 1.00000
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