Tc2Ag2O7
Alexandria ALEXAlex-ID: agm005569735 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_401_spg12
TcAgO4 Ag TcO2
2023-06-04 22:42:59.814692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005569735).
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 agm005569735
data_agm005569735
_cell_length_a 5.62584
_cell_length_b 5.92406
_cell_length_c 5.92406
_cell_angle_alpha 113.33426
_cell_angle_beta 97.06373
_cell_angle_gamma 97.06372
_cell_volume 176.68990
_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
Tc1 Tc 0.61411 0.75202 0.75202 1.00000
Tc2 Tc 0.38589 0.24798 0.24798 1.00000
Ag1 Ag 1.00000 0.31622 0.68378 1.00000
Ag2 Ag 0.00000 0.68378 0.31622 1.00000
O1 O 0.77790 0.93277 0.62449 1.00000
O2 O 0.77790 0.62449 0.93277 1.00000
O3 O 0.30740 0.56506 0.56506 1.00000
O4 O 0.50000 0.00000 0.00000 1.00000
O5 O 0.69260 0.43494 0.43494 1.00000
O6 O 0.22210 0.37551 0.06723 1.00000
O7 O 0.22210 0.06723 0.37551 1.00000
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