FeGeH8(O2F3)2
Alexandria ALEXAlex-ID: agm006326435 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D6E8_1_spg14
FeGeH8(O2F3)2
2025-02-24 13:55:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006326435).
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 agm006326435
data_agm006326435
_cell_length_a 5.69358
_cell_length_b 10.21323
_cell_length_c 7.33711
_cell_angle_alpha 90.00000
_cell_angle_beta 106.78687
_cell_angle_gamma 90.00000
_cell_volume 408.47036
_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
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.00000 0.00000 0.50000 1.00000
Ge2 Ge 0.00000 0.50000 0.00000 1.00000
H1 H 0.27969 0.14254 0.22320 1.00000
H2 H 0.72031 0.64254 0.27680 1.00000
H3 H 0.72031 0.85746 0.77680 1.00000
H4 H 0.27969 0.35746 0.72320 1.00000
H5 H 0.27443 0.22910 0.04447 1.00000
H6 H 0.72557 0.72910 0.45553 1.00000
H7 H 0.72557 0.77090 0.95553 1.00000
H8 H 0.27443 0.27090 0.54447 1.00000
H9 H 0.26333 0.77338 0.04618 1.00000
H10 H 0.73667 0.27338 0.45382 1.00000
H11 H 0.73667 0.22662 0.95382 1.00000
H12 H 0.26333 0.72662 0.54618 1.00000
H13 H 0.25173 0.86989 0.21266 1.00000
H14 H 0.74827 0.36989 0.28734 1.00000
H15 H 0.74827 0.13011 0.78734 1.00000
H16 H 0.25173 0.63011 0.71266 1.00000
O1 O 0.36456 0.15802 0.12574 1.00000
O2 O 0.63544 0.65802 0.37426 1.00000
O3 O 0.63544 0.84198 0.87426 1.00000
O4 O 0.36456 0.34198 0.62574 1.00000
O5 O 0.26920 0.86620 0.08314 1.00000
O6 O 0.73080 0.36620 0.41686 1.00000
O7 O 0.73080 0.13380 0.91686 1.00000
O8 O 0.26920 0.63380 0.58314 1.00000
F1 F 0.78913 0.96484 0.26505 1.00000
F2 F 0.21087 0.46484 0.23495 1.00000
F3 F 0.21087 0.03516 0.73495 1.00000
F4 F 0.78913 0.53516 0.76505 1.00000
F5 F 0.22403 0.88790 0.44674 1.00000
F6 F 0.77597 0.38790 0.05326 1.00000
F7 F 0.77597 0.11210 0.55326 1.00000
F8 F 0.22403 0.61210 0.94674 1.00000
F9 F 0.13065 0.13784 0.40041 1.00000
F10 F 0.86935 0.63784 0.09959 1.00000
F11 F 0.86935 0.86216 0.59959 1.00000
F12 F 0.13065 0.36216 0.90041 1.00000
