Ge2O4F
Alexandria ALEXAlex-ID: agm005999224 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1894_spg43
O2F GeO2 GeF4
2023-10-14 08:56:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999224).
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 agm005999224
data_agm005999224
_cell_length_a 6.14941
_cell_length_b 6.15295
_cell_length_c 6.44126
_cell_angle_alpha 100.46354
_cell_angle_beta 100.43841
_cell_angle_gamma 128.29950
_cell_volume 173.92831
_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 0.60573 0.86510 0.32678 1.00000
Ge2 Ge 0.53683 0.27706 0.67316 1.00000
Ge3 Ge 0.11505 0.35564 0.82684 1.00000
Ge4 Ge 0.52720 0.28696 0.17324 1.00000
O1 O 0.92252 0.47151 0.69251 1.00000
O2 O 0.53278 0.14659 0.90471 1.00000
O3 O 0.77986 0.23120 0.30747 1.00000
O4 O 0.39662 0.28290 0.40474 1.00000
O5 O 0.88147 0.99433 0.59477 1.00000
O6 O 0.24425 0.63144 0.09476 1.00000
O7 O 0.72175 0.67250 0.19263 1.00000
O8 O 0.48139 0.52980 0.80761 1.00000
F1 F 0.37802 0.87666 0.50032 1.00000
F2 F 0.12653 0.12834 0.00046 1.00000
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