GeOF
Alexandria ALEXAlex-ID: agm005693733 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_11060_spg2
GeO2 GeF2
2023-06-18 06:42:00.896368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693733).
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 agm005693733
data_agm005693733
_cell_length_a 7.14953
_cell_length_b 5.73410
_cell_length_c 5.07875
_cell_angle_alpha 88.26202
_cell_angle_beta 103.54128
_cell_angle_gamma 78.06936
_cell_volume 197.36903
_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
Ge1 Ge 0.41653 0.27653 0.32864 1.00000
Ge2 Ge 0.58346 0.72344 0.67140 1.00000
Ge3 Ge 0.91489 0.20610 0.56125 1.00000
Ge4 Ge 0.08510 0.79390 0.43872 1.00000
O1 O 0.98716 0.90270 0.72184 1.00000
O2 O 0.32953 0.63606 0.49590 1.00000
O3 O 0.01285 0.09729 0.27814 1.00000
O4 O 0.67045 0.36395 0.50409 1.00000
F1 F 0.04921 0.39079 0.75489 1.00000
F2 F 0.95081 0.60925 0.24507 1.00000
F3 F 0.59129 0.88399 0.33813 1.00000
F4 F 0.40872 0.11601 0.66193 1.00000
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