MnTl2
Alexandria ALEXAlex-ID: agm005444281 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_51_spg12
Tl Mn
2023-03-21 14:47:08.811015
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005444281).
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 agm005444281
data_agm005444281
_cell_length_a 6.34010
_cell_length_b 6.34010
_cell_length_c 8.45939
_cell_angle_alpha 57.88987
_cell_angle_beta 57.88987
_cell_angle_gamma 30.13854
_cell_volume 142.53571
_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 0.21445 0.21445 0.96776 1.00000
Mn2 Mn 0.78555 0.78555 0.03224 1.00000
Tl1 Tl 0.48230 0.48230 0.20875 1.00000
Tl2 Tl 0.83163 0.83163 0.63177 1.00000
Tl3 Tl 0.16837 0.16837 0.36823 1.00000
Tl4 Tl 0.51770 0.51770 0.79125 1.00000
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