MnAgH8(OF)4
Alexandria ALEXAlex-ID: agm003243255 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D4E8_0_spg11
MnAgF4 H2O
2021-12-17 10:12:38.462252
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243255).
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 agm003243255
data_agm003243255
_cell_length_a 7.17803
_cell_length_b 6.73556
_cell_length_c 7.59664
_cell_angle_alpha 75.59745
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 355.73977
_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 0.75000 0.72433 0.54458 1.00000
Mn2 Mn 0.25000 0.27567 0.45542 1.00000
Ag1 Ag 0.75000 0.96686 0.05762 1.00000
Ag2 Ag 0.25000 0.03314 0.94238 1.00000
H1 H 0.63157 0.04444 0.63532 1.00000
H2 H 0.13157 0.95556 0.36468 1.00000
H3 H 0.36843 0.95556 0.36468 1.00000
H4 H 0.86843 0.04444 0.63532 1.00000
H5 H 0.63548 0.45579 0.37579 1.00000
H6 H 0.13548 0.54421 0.62421 1.00000
H7 H 0.36452 0.54421 0.62421 1.00000
H8 H 0.86452 0.45579 0.37579 1.00000
H9 H 0.53753 0.35138 0.89078 1.00000
H10 H 0.03753 0.64862 0.10922 1.00000
H11 H 0.46247 0.64862 0.10922 1.00000
H12 H 0.96247 0.35138 0.89078 1.00000
H13 H 0.49280 0.29496 0.10251 1.00000
H14 H 0.99280 0.70504 0.89749 1.00000
H15 H 0.50720 0.70504 0.89749 1.00000
H16 H 0.00720 0.29496 0.10251 1.00000
O1 O 0.75000 0.95614 0.65816 1.00000
O2 O 0.25000 0.04386 0.34184 1.00000
O3 O 0.75000 0.47806 0.44557 1.00000
O4 O 0.25000 0.52194 0.55443 1.00000
O5 O 0.51328 0.23485 0.99703 1.00000
O6 O 0.01328 0.76515 0.00297 1.00000
O7 O 0.48672 0.76515 0.00297 1.00000
O8 O 0.98672 0.23485 0.99703 1.00000
F1 F 0.54369 0.58612 0.72882 1.00000
F2 F 0.04369 0.41388 0.27118 1.00000
F3 F 0.45631 0.41388 0.27118 1.00000
F4 F 0.95631 0.58612 0.72882 1.00000
F5 F 0.55024 0.85150 0.37017 1.00000
F6 F 0.05024 0.14850 0.62983 1.00000
F7 F 0.44976 0.14850 0.62983 1.00000
F8 F 0.94976 0.85150 0.37017 1.00000
