ZnGe2F6
Alexandria ALEXAlex-ID: agm005688273 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2317_spg15
ZnGe2F6
2023-07-07 05:41:45.628023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688273).
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 agm005688273
data_agm005688273
_cell_length_a 5.80285
_cell_length_b 8.47808
_cell_length_c 8.47808
_cell_angle_alpha 98.86638
_cell_angle_beta 106.63903
_cell_angle_gamma 106.63904
_cell_volume 370.01550
_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 0.25000 0.93090 0.06910 1.00000
Zn2 Zn 0.75000 0.06910 0.93090 1.00000
Ge1 Ge 0.24245 0.39866 0.16777 1.00000
Ge2 Ge 0.25755 0.83223 0.60134 1.00000
Ge3 Ge 0.75755 0.60134 0.83223 1.00000
Ge4 Ge 0.74245 0.16777 0.39866 1.00000
F1 F 0.60758 0.33091 0.33942 1.00000
F2 F 0.89242 0.66058 0.66909 1.00000
F3 F 0.39242 0.66909 0.66058 1.00000
F4 F 0.10758 0.33942 0.33091 1.00000
F5 F 0.62266 0.00314 0.67762 1.00000
F6 F 0.87734 0.32238 0.99686 1.00000
F7 F 0.37734 0.99686 0.32238 1.00000
F8 F 0.12266 0.67762 0.00314 1.00000
F9 F 0.16660 0.15189 0.05096 1.00000
F10 F 0.33340 0.94904 0.84811 1.00000
F11 F 0.83340 0.84811 0.94904 1.00000
F12 F 0.66660 0.05096 0.15189 1.00000
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