KTa2Ag2O7
Alexandria ALEXAlex-ID: agm004588366 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
K3Ta7O19 KTaO3 Ag2O AgO
2022-06-26 02:05:06.939226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004588366).
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 agm004588366
data_agm004588366
_cell_length_a 3.93424
_cell_length_b 4.32831
_cell_length_c 10.38646
_cell_angle_alpha 102.02644
_cell_angle_beta 100.91736
_cell_angle_gamma 90.00000
_cell_volume 169.71105
_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
K1 K 0.00000 0.02836 0.00000 1.00000
Ta1 Ta 0.40008 0.44363 0.80015 1.00000
Ta2 Ta 0.59992 0.64348 0.19985 1.00000
Ag1 Ag 0.27969 0.77170 0.55938 1.00000
Ag2 Ag 0.72031 0.21232 0.44062 1.00000
O1 O 0.40053 0.87853 0.80107 1.00000
O2 O 0.70120 0.68845 0.40241 1.00000
O3 O 0.09850 0.58684 0.19701 1.00000
O4 O 0.59947 0.07746 0.19893 1.00000
O5 O 0.29880 0.28604 0.59759 1.00000
O6 O 0.90150 0.38983 0.80299 1.00000
O7 O 0.50000 0.49306 1.00000 1.00000
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