RbTlF4
Alexandria ALEXAlex-ID: agm077780602 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_167_spg15
RbTlF4
2025-01-09 09:15:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077780602).
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 agm077780602
data_agm077780602
_cell_length_a 7.51503
_cell_length_b 7.51503
_cell_length_c 5.77714
_cell_angle_alpha 70.43535
_cell_angle_beta 109.56465
_cell_angle_gamma 68.04031
_cell_volume 242.40867
_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
Rb1 Rb 0.85841 0.85841 0.75000 1.00000
Rb2 Rb 0.14159 0.14159 0.25000 1.00000
Tl1 Tl 0.58914 0.58914 0.25000 1.00000
Tl2 Tl 0.41086 0.41086 0.75000 1.00000
F1 F 0.34110 0.72375 0.78145 1.00000
F2 F 0.65890 0.27625 0.21855 1.00000
F3 F 0.72375 0.34110 0.71855 1.00000
F4 F 0.27625 0.65890 0.28145 1.00000
F5 F 0.45447 0.13657 0.69163 1.00000
F6 F 0.54553 0.86343 0.30837 1.00000
F7 F 0.13657 0.45447 0.80837 1.00000
F8 F 0.86343 0.54553 0.19163 1.00000
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