SrTl2F8
Alexandria ALEXAlex-ID: agm080997301 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_159_spg2
Sr2TlF7 TlF3
2025-02-24 01:51:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080997301).
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 agm080997301
data_agm080997301
_cell_length_a 5.57454
_cell_length_b 5.82166
_cell_length_c 6.75964
_cell_angle_alpha 104.89536
_cell_angle_beta 111.58223
_cell_angle_gamma 100.81098
_cell_volume 187.16957
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.27026 0.68920 0.45751 1.00000
Tl2 Tl 0.72974 0.31080 0.54249 1.00000
F1 F 0.57414 0.59361 0.72418 1.00000
F2 F 0.44004 0.94210 0.27876 1.00000
F3 F 0.93274 0.72042 0.20275 1.00000
F4 F 0.03593 0.71425 0.67147 1.00000
F5 F 0.55996 0.05790 0.72124 1.00000
F6 F 0.42586 0.40639 0.27582 1.00000
F7 F 0.06726 0.27958 0.79725 1.00000
F8 F 0.96407 0.28575 0.32853 1.00000
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