Tc(Au4F3)2
Alexandria ALEXAlex-ID: agm072409591 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_615_spg148
TcF6 Au
2024-10-06 04:27:07.244650
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072409591).
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 agm072409591
data_agm072409591
_cell_length_a 4.98385
_cell_length_b 4.97699
_cell_length_c 12.10755
_cell_angle_alpha 82.29074
_cell_angle_beta 93.89489
_cell_angle_gamma 119.95681
_cell_volume 257.84830
_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
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.33346 0.16679 0.49999 1.00000
Au2 Au 0.66654 0.83321 0.50001 1.00000
Au3 Au 0.66723 0.55310 0.30748 1.00000
Au4 Au 0.99826 0.22251 0.30649 1.00000
Au5 Au 0.32919 0.88390 0.30773 1.00000
Au6 Au 0.33277 0.44690 0.69252 1.00000
Au7 Au 0.00174 0.77749 0.69351 1.00000
Au8 Au 0.67081 0.11610 0.69227 1.00000
F1 F 0.00059 0.27874 0.09547 1.00000
F2 F 0.69334 0.66125 0.09618 1.00000
F3 F 0.30730 0.96801 0.09592 1.00000
F4 F 0.99941 0.72126 0.90453 1.00000
F5 F 0.30666 0.33875 0.90382 1.00000
F6 F 0.69270 0.03199 0.90408 1.00000
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