MnAg2RuF8
Alexandria ALEXAlex-ID: agm004909288 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
Ag2RuF6 MnF2
2022-12-20 14:24:09.817936
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909288).
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 agm004909288
data_agm004909288
_cell_length_a 5.29668
_cell_length_b 5.34165
_cell_length_c 6.74417
_cell_angle_alpha 89.99112
_cell_angle_beta 90.00416
_cell_angle_gamma 91.80198
_cell_volume 190.71822
_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 0.00000 0.50000 1.00000
Ag1 Ag 0.49986 0.49990 0.74462 1.00000
Ag2 Ag 0.50014 0.50010 0.25538 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
F1 F 0.16822 0.82739 0.22521 1.00000
F2 F 0.73526 0.74489 0.99992 1.00000
F3 F 0.83162 0.17245 0.22516 1.00000
F4 F 0.83178 0.17261 0.77479 1.00000
F5 F 0.26474 0.25511 0.00008 1.00000
F6 F 0.16838 0.82755 0.77484 1.00000
F7 F 0.72503 0.73150 0.50011 1.00000
F8 F 0.27497 0.26850 0.49989 1.00000
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