Mn2Tl(AuO2)3
Alexandria ALEXAlex-ID: agm017496457 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Mn2Tl2O7 MnAuO2 Au2O3 Au
2024-10-01 13:45:00.225590
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017496457).
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 agm017496457
data_agm017496457
_cell_length_a 5.71977
_cell_length_b 5.71977
_cell_length_c 6.52506
_cell_angle_alpha 81.24791
_cell_angle_beta 81.24791
_cell_angle_gamma 121.33492
_cell_volume 173.31725
_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 0.33331 0.66669 0.00000 1.00000
Mn2 Mn 0.66669 0.33331 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.17732 0.82268 0.50000 1.00000
Au2 Au 0.82268 0.17732 0.50000 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
O1 O 0.05202 0.69149 0.83098 1.00000
O2 O 0.58020 0.58020 0.17146 1.00000
O3 O 0.94798 0.30851 0.16902 1.00000
O4 O 0.69149 0.05202 0.83098 1.00000
O5 O 0.41980 0.41980 0.82854 1.00000
O6 O 0.30851 0.94798 0.16902 1.00000
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