MnTlCoF6
Alexandria ALEXAlex-ID: agm005072261 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
MnTlF4 CoF2
2022-12-15 08:07:50.130524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005072261).
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 agm005072261
data_agm005072261
_cell_length_a 5.53829
_cell_length_b 5.39607
_cell_length_c 6.06088
_cell_angle_alpha 89.86257
_cell_angle_beta 89.71625
_cell_angle_gamma 59.11337
_cell_volume 155.44060
_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
Mn1 Mn 0.33537 0.32924 0.49999 1.00000
Tl1 Tl 0.99637 0.00726 0.99998 1.00000
Co1 Co 0.67450 0.65091 0.49999 1.00000
F1 F 0.99337 0.37650 0.30551 1.00000
F2 F 0.36387 0.01839 0.67214 1.00000
F3 F 0.63003 0.37661 0.69449 1.00000
F4 F 0.02467 0.61150 0.67130 1.00000
F5 F 0.36383 0.61137 0.32866 1.00000
F6 F 0.61776 0.01827 0.32786 1.00000
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