TlGeHF6
Alexandria ALEXAlex-ID: agm007669250 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_124_spg1
TlGeF5 HF
2024-04-22 10:43:37.406169
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007669250).
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 agm007669250
data_agm007669250
_cell_length_a 4.79047
_cell_length_b 5.63097
_cell_length_c 5.64503
_cell_angle_alpha 93.74670
_cell_angle_beta 93.42713
_cell_angle_gamma 107.99919
_cell_volume 143.99892
_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
Tl1 Tl 0.92922 0.98188 0.97286 1.00000
Ge1 Ge 0.66392 0.32621 0.52352 1.00000
H1 H 0.22258 0.57734 0.43545 1.00000
F1 F 0.02458 0.57918 0.35779 1.00000
F2 F 0.89617 0.48099 0.78604 1.00000
F3 F 0.40349 0.11332 0.68361 1.00000
F4 F 0.87507 0.11662 0.47441 1.00000
F5 F 0.49203 0.24248 0.22677 1.00000
F6 F 0.49318 0.58217 0.53946 1.00000
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