PmMnAg2F6
Alexandria ALEXAlex-ID: agm004972044 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_468_spg2
Ag2F MnF2 PmF3
2022-07-23 03:08:02.568325
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972044).
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 agm004972044
data_agm004972044
_cell_length_a 6.14488
_cell_length_b 6.14096
_cell_length_c 6.16458
_cell_angle_alpha 89.91700
_cell_angle_beta 120.04148
_cell_angle_gamma 119.90650
_cell_volume 164.73706
_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
Pm1 Pm 0.99661 0.99781 0.98032 1.00000
Mn1 Mn 0.99664 0.49783 0.48049 1.00000
Ag1 Ag 0.49685 0.74758 0.23206 1.00000
Ag2 Ag 0.49641 0.24803 0.72873 1.00000
F1 F 0.48195 0.81649 0.72207 1.00000
F2 F 0.51132 0.17917 0.23816 1.00000
F3 F 0.91720 0.73841 0.23516 1.00000
F4 F 0.06935 0.32993 0.23534 1.00000
F5 F 0.92355 0.66553 0.72504 1.00000
F6 F 0.07569 0.25689 0.72516 1.00000
Get direct link