FeTc2F8
Alexandria ALEXAlex-ID: agm005998124 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_545_spg12
FeTcF6 TcF4 Tc
2023-10-15 23:36:48.855171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998124).
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 agm005998124
data_agm005998124
_cell_length_a 4.61392
_cell_length_b 5.87091
_cell_length_c 7.15004
_cell_angle_alpha 127.50577
_cell_angle_beta 89.99607
_cell_angle_gamma 96.81521
_cell_volume 151.91675
_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
F1 F 0.28253 0.78850 0.39434 1.00000
F2 F 0.71747 0.21150 0.60562 1.00000
F3 F 0.76319 0.77598 0.11254 1.00000
F4 F 0.23686 0.22394 0.33645 1.00000
F5 F 0.23321 0.66268 0.83133 1.00000
F6 F 0.23680 0.22403 0.88745 1.00000
F7 F 0.76314 0.77605 0.66354 1.00000
F8 F 0.76679 0.33732 0.16867 1.00000
Fe1 Fe 0.00000 0.00000 0.99999 1.00000
Tc1 Tc 0.23871 0.23427 0.61709 1.00000
Tc2 Tc 0.76129 0.76573 0.38289 1.00000
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