MnTl2(AgO2)3
Alexandria ALEXAlex-ID: agm017105564 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
TlAgO2 Mn4Ag3O8 Ag
2024-11-13 03:07:40.628615
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017105564).
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 agm017105564
data_agm017105564
_cell_length_a 5.78432
_cell_length_b 5.78432
_cell_length_c 6.58290
_cell_angle_alpha 82.85039
_cell_angle_beta 82.85039
_cell_angle_gamma 117.98449
_cell_volume 188.73774
_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 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.33356 0.66644 0.00000 1.00000
Tl2 Tl 0.66644 0.33356 0.00000 1.00000
Ag1 Ag 0.15042 0.84958 0.50000 1.00000
Ag2 Ag 0.84958 0.15042 0.50000 1.00000
Ag3 Ag 0.50000 0.50000 0.50000 1.00000
O1 O 0.24539 0.94979 0.16801 1.00000
O2 O 0.37169 0.37169 0.82224 1.00000
O3 O 0.75461 0.05021 0.83199 1.00000
O4 O 0.94979 0.24539 0.16801 1.00000
O5 O 0.62831 0.62831 0.17776 1.00000
O6 O 0.05021 0.75461 0.83199 1.00000
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