MnGeH8(O2F3)2
Alexandria ALEXAlex-ID: agm006326413 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D6E8_1_spg14
MnGeH8(O2F3)2
2024-10-26 23:36:38.951352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006326413).
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 agm006326413
data_agm006326413
_cell_length_a 10.28531
_cell_length_b 5.71043
_cell_length_c 7.45135
_cell_angle_alpha 73.41191
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 419.42998
_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
Mn1 Mn 0.00000 0.50000 0.50000 1.00000
Mn2 Mn 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.50000 0.00000 0.50000 1.00000
H1 H 0.85483 0.72915 0.71999 1.00000
H2 H 0.35483 0.27085 0.78001 1.00000
H3 H 0.14517 0.27085 0.28001 1.00000
H4 H 0.64517 0.72915 0.21999 1.00000
H5 H 0.76768 0.72796 0.54620 1.00000
H6 H 0.26768 0.27204 0.95380 1.00000
H7 H 0.23232 0.27204 0.45380 1.00000
H8 H 0.73232 0.72796 0.04620 1.00000
H9 H 0.22857 0.74045 0.55085 1.00000
H10 H 0.72857 0.25955 0.94915 1.00000
H11 H 0.77143 0.25955 0.44915 1.00000
H12 H 0.27143 0.74045 0.05085 1.00000
H13 H 0.13407 0.74988 0.71647 1.00000
H14 H 0.63407 0.25012 0.78353 1.00000
H15 H 0.86593 0.25012 0.28353 1.00000
H16 H 0.36593 0.74988 0.21647 1.00000
O1 O 0.83932 0.64159 0.62563 1.00000
O2 O 0.33932 0.35841 0.87437 1.00000
O3 O 0.16068 0.35841 0.37437 1.00000
O4 O 0.66068 0.64159 0.12563 1.00000
O5 O 0.13670 0.73249 0.58884 1.00000
O6 O 0.63670 0.26751 0.91116 1.00000
O7 O 0.86330 0.26751 0.41116 1.00000
O8 O 0.36330 0.73249 0.08884 1.00000
F1 F 0.03268 0.21454 0.77040 1.00000
F2 F 0.53268 0.78546 0.72960 1.00000
F3 F 0.96732 0.78546 0.22960 1.00000
F4 F 0.46732 0.21454 0.27040 1.00000
F5 F 0.11355 0.78173 0.94495 1.00000
F6 F 0.61355 0.21827 0.55505 1.00000
F7 F 0.88645 0.21827 0.05505 1.00000
F8 F 0.38645 0.78173 0.44495 1.00000
F9 F 0.86411 0.86716 0.90100 1.00000
F10 F 0.36411 0.13284 0.59900 1.00000
F11 F 0.13589 0.13284 0.09900 1.00000
F12 F 0.63589 0.86716 0.40100 1.00000
