LiTl2CoF5
Alexandria ALEXAlex-ID: agm005152138 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
Tl2Co3F8 TlF LiF
2023-01-09 13:01:38.242135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152138).
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 agm005152138
data_agm005152138
_cell_length_a 3.36800
_cell_length_b 7.60740
_cell_length_c 12.10143
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.78911
_cell_volume 302.36711
_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
Li1 Li 0.55799 0.11599 0.94132 1.00000
Li2 Li 0.44201 0.88401 0.44132 1.00000
Tl1 Tl 0.85809 0.71618 0.81580 1.00000
Tl2 Tl 0.09336 0.18671 0.66594 1.00000
Tl3 Tl 0.14191 0.28382 0.31580 1.00000
Tl4 Tl 0.90664 0.81329 0.16594 1.00000
Co1 Co 0.79699 0.59399 0.52514 1.00000
Co2 Co 0.20301 0.40601 0.02514 1.00000
F1 F 0.33728 0.67456 0.00136 1.00000
F2 F 0.68619 0.37238 0.91715 1.00000
F3 F 0.49981 0.99962 0.80615 1.00000
F4 F 0.28754 0.57509 0.63051 1.00000
F5 F 0.93684 0.87369 0.52059 1.00000
F6 F 0.66272 0.32544 0.50136 1.00000
F7 F 0.31381 0.62762 0.41715 1.00000
F8 F 0.50019 0.00038 0.30615 1.00000
F9 F 0.71246 0.42491 0.13051 1.00000
F10 F 0.06316 0.12631 0.02059 1.00000
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