RbTlF4
Alexandria ALEXAlex-ID: agm002270623 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_52_spg15
RbTlF4
2018-11-03 09:23:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002270623).
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 agm002270623
data_agm002270623
_cell_length_a 5.63220
_cell_length_b 6.26345
_cell_length_c 8.17054
_cell_angle_alpha 119.81787
_cell_angle_beta 110.14460
_cell_angle_gamma 89.99871
_cell_volume 229.52963
_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 0.49999 0.49998 0.00000 1.00000
Tl2 Tl 0.00000 0.00002 1.00000 1.00000
Rb1 Rb 0.71252 0.25010 0.50025 1.00000
Rb2 Rb 0.28748 0.74991 0.49975 1.00000
F1 F 0.77748 0.74258 0.29667 1.00000
F2 F 0.98172 0.75729 0.70365 1.00000
F3 F 0.22251 0.25743 0.70333 1.00000
F4 F 0.01829 0.24272 0.29636 1.00000
F5 F 0.25912 0.78923 0.12347 1.00000
F6 F 0.63579 0.71088 0.87665 1.00000
F7 F 0.74088 0.21077 0.87653 1.00000
F8 F 0.36421 0.28913 0.12334 1.00000
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