Sc2MnF8
Alexandria ALEXAlex-ID: agm005997473 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
MnF2 ScF3
2023-10-17 01:21:26.318426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997473).
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 agm005997473
data_agm005997473
_cell_length_a 4.15978
_cell_length_b 6.65089
_cell_length_c 6.67513
_cell_angle_alpha 120.01879
_cell_angle_beta 90.01118
_cell_angle_gamma 90.02774
_cell_volume 159.90362
_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
Sc1 Sc 0.25104 0.33424 0.66748 1.00000
Sc2 Sc 0.74896 0.66576 0.33251 1.00000
Mn1 Mn 0.00000 0.00000 0.99999 1.00000
F1 F 0.25161 0.66508 0.33190 1.00000
F2 F 0.74839 0.33492 0.66806 1.00000
F3 F 0.75686 0.83372 0.16403 1.00000
F4 F 0.24305 0.16497 0.33205 1.00000
F5 F 0.24340 0.67203 0.83498 1.00000
F6 F 0.24314 0.16629 0.83596 1.00000
F7 F 0.75696 0.83502 0.66793 1.00000
F8 F 0.75660 0.32797 0.16502 1.00000
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