CsTc2F6
Alexandria ALEXAlex-ID: agm097110967 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_951_spg12
CsTcF5 TcF4 Tc
2025-04-06 23:04:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097110967).
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 agm097110967
data_agm097110967
_cell_length_a 4.64198
_cell_length_b 4.64042
_cell_length_c 7.70037
_cell_angle_alpha 99.29407
_cell_angle_beta 90.42995
_cell_angle_gamma 103.31372
_cell_volume 159.12192
_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
Cs1 Cs 0.50732 0.60063 0.34444 1.00000
Tc1 Tc 0.88017 0.88076 0.91576 1.00000
Tc2 Tc 0.19772 0.17359 0.78575 1.00000
F1 F 0.48459 0.48950 0.95146 1.00000
F2 F 0.10801 0.02660 0.52985 1.00000
F3 F 0.09202 0.76953 0.10339 1.00000
F4 F 0.96705 0.49539 0.75337 1.00000
F5 F 0.73699 0.12860 0.10956 1.00000
F6 F 0.52612 0.93540 0.75642 1.00000
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