MnTlAuCl6
Alexandria ALEXAlex-ID: agm005099652 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_126_spg5
TlAuCl4 MnCl3 Mn(TlCl3)2 AuCl
2022-08-14 07:03:52.566452
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099652).
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 agm005099652
data_agm005099652
_cell_length_a 6.55960
_cell_length_b 7.48080
_cell_length_c 6.86570
_cell_angle_alpha 97.13803
_cell_angle_beta 94.17255
_cell_angle_gamma 55.38413
_cell_volume 275.11787
_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 0.34601 0.32721 0.50006 1.00000
Tl1 Tl 0.03539 0.98231 0.99938 1.00000
Au1 Au 0.65344 0.67306 0.49967 1.00000
Cl1 Cl 0.01383 0.37407 0.29854 1.00000
Cl2 Cl 0.35543 0.01004 0.68921 1.00000
Cl3 Cl 0.61346 0.32615 0.72195 1.00000
Cl4 Cl 0.01497 0.61123 0.70118 1.00000
Cl5 Cl 0.35377 0.63434 0.31017 1.00000
Cl6 Cl 0.61347 0.06165 0.27975 1.00000
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