Mn3AgF12
Alexandria ALEXAlex-ID: agm076119038 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_6_spg1
MnAgF6 MnF3
2025-01-14 13:21:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076119038).
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
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# CIF generated by HEAS from Alexandria entry agm076119038
data_agm076119038
_cell_length_a 5.19080
_cell_length_b 5.48074
_cell_length_c 7.85179
_cell_angle_alpha 85.61833
_cell_angle_beta 90.99748
_cell_angle_gamma 89.78831
_cell_volume 222.68945
_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 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
Mn3 Mn 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
F1 F 0.34568 0.19473 0.05438 1.00000
F2 F 0.59723 0.51034 0.27380 1.00000
F3 F 0.40277 0.48966 0.72620 1.00000
F4 F 0.65432 0.80527 0.94562 1.00000
F5 F 0.85978 0.01385 0.28679 1.00000
F6 F 0.20488 0.27397 0.43894 1.00000
F7 F 0.79512 0.72603 0.56106 1.00000
F8 F 0.14022 0.98615 0.71321 1.00000
F9 F 0.18970 0.65839 0.05066 1.00000
F10 F 0.73613 0.20751 0.56595 1.00000
F11 F 0.26387 0.79249 0.43405 1.00000
F12 F 0.81030 0.34161 0.94934 1.00000
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